1.0 2011-09-21 01:52:36 UTC 2015-07-21 06:59:40 UTC FDB029248 Neuromedin C Neuromedin c is a neuropeptide derived from the same precursor polypeptide as neurotensin, and with similar but subtly distinct expression and effect Neurotensin is a 13 amino acid neuropeptide that is implicated in the regulation of luteinizing hormone and prolactin release and has significant interaction with the dopaminergic system. Neurotensin was first isolated from extracts of bovine hypothalamus based on its ability to cause a visible vasodilation in the exposed cutaneous regions of anesthetized rats This structure shows neuromedin C [HMDB] Gly-Asn-His-Trp-Ala-Val-Gly-His-Leu-Met-NH2 NMC C50H73N17O11S 1120.287 1119.539616953 (2R)-2-(2-aminoacetamido)-N-[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1R)-1-[({[(1S)-1-[(1-{[(1R)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl)carbamoyl]-2-(1H-imidazol-5-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]butanediamide (2R)-2-(2-aminoacetamido)-N-[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1R)-1-[({[(1S)-1-[(1-{[(1R)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl)carbamoyl]-2-(3H-imidazol-4-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(3H-imidazol-4-yl)ethyl]succinamide 81608-30-2 CSCC[C@@H](NC(=O)C(CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](CC(N)=O)NC(=O)CN)C(C)C)C(N)=O InChI=1S/C50H73N17O11S/c1-25(2)13-34(46(74)63-33(43(53)71)11-12-79-6)64-47(75)36(15-29-20-54-23-58-29)62-41(70)22-57-50(78)42(26(3)4)67-44(72)27(5)60-45(73)35(14-28-19-56-32-10-8-7-9-31(28)32)65-48(76)37(16-30-21-55-24-59-30)66-49(77)38(17-39(52)68)61-40(69)18-51/h7-10,19-21,23-27,33-38,42,56H,11-18,22,51H2,1-6H3,(H2,52,68)(H2,53,71)(H,54,58)(H,55,59)(H,57,78)(H,60,73)(H,61,69)(H,62,70)(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,67,72)/t27-,33+,34?,35+,36-,37-,38+,42+/m0/s1 RWBLWXCGQLZKLK-FHOLMIEWSA-N belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. Polypeptides Organic compounds Organic Polymers Polypeptides Aromatic heteropolycyclic compounds 3-alkylindoles Alanine and derivatives Alpha amino acid amides Asparagine and derivatives Azacyclic compounds Benzenoids Carbonyl compounds Dialkylthioethers Heteroaromatic compounds Histidine and derivatives Hydrocarbon derivatives Imidazoles Leucine and derivatives Methionine and derivatives Monoalkylamines N-acyl amines N-acyl-alpha amino acids and derivatives Organic oxides Organopnictogen compounds Peptides Primary carboxylic acid amides Secondary carboxylic acid amides Substituted pyrroles Sulfenyl compounds Tryptamines and derivatives Valine and derivatives 3-alkylindole Alanine or derivatives Alpha peptide Alpha-amino acid amide Alpha-amino acid or derivatives Amine Amino acid or derivatives Aromatic heteropolycyclic compound Asparagine or derivatives Azacycle Azole Benzenoid Carbonyl group Carboxamide group Carboxylic acid derivative Dialkylthioether Fatty acyl Fatty amide Heteroaromatic compound Histidine or derivatives Hydrocarbon derivative Imidazole Indole Indole or derivatives Leucine or derivatives Methionine or derivatives N-acyl-alpha amino acid or derivatives N-acyl-amine N-substituted-alpha-amino acid Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Organosulfur compound Polypeptide Primary aliphatic amine Primary amine Primary carboxylic acid amide Pyrrole Secondary carboxylic acid amide Substituted pyrrole Sulfenyl compound Thioether Triptan Valine or derivatives Solid logp 0.17 ALOGPS logs -4.78 ALOGPS solubility 1.86e-02 g/l ALOGPS logp -5.8 ChemAxon pka_strongest_acidic 11.5 ChemAxon pka_strongest_basic 7.9 ChemAxon iupac (2R)-2-(2-aminoacetamido)-N-[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1R)-1-[({[(1S)-1-[(1-{[(1R)-1-carbamoyl-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl)carbamoyl]-2-(1H-imidazol-5-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]butanediamide ChemAxon average_mass 1120.287 ChemAxon mono_mass 1119.539616953 ChemAxon smiles CSCC[C@@H](NC(=O)C(CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)CNC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H](CC(N)=O)NC(=O)CN)C(C)C)C(N)=O ChemAxon formula C50H73N17O11S ChemAxon inchi InChI=1S/C50H73N17O11S/c1-25(2)13-34(46(74)63-33(43(53)71)11-12-79-6)64-47(75)36(15-29-20-54-23-58-29)62-41(70)22-57-50(78)42(26(3)4)67-44(72)27(5)60-45(73)35(14-28-19-56-32-10-8-7-9-31(28)32)65-48(76)37(16-30-21-55-24-59-30)66-49(77)38(17-39(52)68)61-40(69)18-51/h7-10,19-21,23-27,33-38,42,56H,11-18,22,51H2,1-6H3,(H2,52,68)(H2,53,71)(H,54,58)(H,55,59)(H,57,78)(H,60,73)(H,61,69)(H,62,70)(H,63,74)(H,64,75)(H,65,76)(H,66,77)(H,67,72)/t27-,33+,34?,35+,36-,37-,38+,42+/m0/s1 ChemAxon inchikey RWBLWXCGQLZKLK-FHOLMIEWSA-N ChemAxon polar_surface_area 447.25 ChemAxon refractivity 287.45 ChemAxon polarizability 112.8 ChemAxon rotatable_bond_count 33 ChemAxon acceptor_count 14 ChemAxon donor_count 15 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 314167 Specdb::MsMs 314168 Specdb::MsMs 314169 Specdb::MsMs 359857 Specdb::MsMs 359858 Specdb::MsMs 359859 Specdb::MsMs 2290191 Specdb::MsMs 2290192 Specdb::MsMs 2290193 Specdb::MsMs 2649330 Specdb::MsMs 2649331 Specdb::MsMs 2649332 Specdb::NmrOneD 98498 Specdb::NmrOneD 98499 Specdb::NmrOneD 98500 Specdb::NmrOneD 98501 Specdb::NmrOneD 98502 Specdb::NmrOneD 98503 Specdb::NmrOneD 98504 Specdb::NmrOneD 98505 Specdb::NmrOneD 98506 Specdb::NmrOneD 98507 Specdb::NmrOneD 98508 Specdb::NmrOneD 98509 Specdb::NmrOneD 98510 Specdb::NmrOneD 98511 Specdb::NmrOneD 98512 Specdb::NmrOneD 98513 Specdb::NmrOneD 98514 Specdb::NmrOneD 98515 Specdb::NmrOneD 98516 Specdb::NmrOneD 98517 HMDB13020