1.0 2010-04-08 22:09:46 UTC 2025-11-18 23:30:15 UTC FDB011685 Vignatic acid A Constituent of Vigna radiata (mung bean). Vignatic acid A is found in pulses. C30H39N3O7 553.6466 553.278800617 7-benzyl-4-(2-hydroxy-4-methylpentanamido)-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid 7-benzyl-4-(2-hydroxy-4-methylpentanamido)-3-isopropyl-5,8-dioxo-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid 181485-19-8 CC(C)CC(O)C(=O)NC1C(OC2=CC=C(CC(NC(=O)C(CC3=CC=CC=C3)NC1=O)C(O)=O)C=C2)C(C)C InChI=1S/C30H39N3O7/c1-17(2)14-24(34)28(36)33-25-26(18(3)4)40-21-12-10-20(11-13-21)16-23(30(38)39)32-27(35)22(31-29(25)37)15-19-8-6-5-7-9-19/h5-13,17-18,22-26,34H,14-16H2,1-4H3,(H,31,37)(H,32,35)(H,33,36)(H,38,39) OEJLUFSEWIDXDN-UHFFFAOYSA-N belongs to the class of organic compounds known as cyclic peptides. Cyclic peptides are compounds containing a cyclic moiety bearing a peptide backbone. Cyclic peptides Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Aromatic heteropolycyclic compounds Alkyl aryl ethers Alpha amino acids and derivatives Azacyclic compounds Benzene and substituted derivatives Carbonyl compounds Carboxylic acids Cyclic carboximidic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Secondary alcohols Alcohol Alkyl aryl ether Alpha-amino acid or derivatives Aromatic heteropolycyclic compound Azacycle Benzenoid Carbonyl group Carboximidic acid Carboximidic acid derivative Carboxylic acid Cyclic alpha peptide Cyclic carboximidic acid Ether Hydrocarbon derivative Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Propargyl-type 1,3-dipolar organic compound Secondary alcohol logp 2.20 ALOGPS logs -4.28 ALOGPS solubility 2.90e-02 g/l ALOGPS logp 3.1 ChemAxon pka_strongest_acidic 3.64 ChemAxon pka_strongest_basic -3.6 ChemAxon iupac 7-benzyl-4-(2-hydroxy-4-methylpentanamido)-5,8-dioxo-3-(propan-2-yl)-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),12,15-triene-10-carboxylic acid ChemAxon average_mass 553.6466 ChemAxon mono_mass 553.278800617 ChemAxon smiles CC(C)CC(O)C(=O)NC1C(OC2=CC=C(CC(NC(=O)C(CC3=CC=CC=C3)NC1=O)C(O)=O)C=C2)C(C)C ChemAxon formula C30H39N3O7 ChemAxon inchi InChI=1S/C30H39N3O7/c1-17(2)14-24(34)28(36)33-25-26(18(3)4)40-21-12-10-20(11-13-21)16-23(30(38)39)32-27(35)22(31-29(25)37)15-19-8-6-5-7-9-19/h5-13,17-18,22-26,34H,14-16H2,1-4H3,(H,31,37)(H,32,35)(H,33,36)(H,38,39) ChemAxon inchikey OEJLUFSEWIDXDN-UHFFFAOYSA-N ChemAxon polar_surface_area 154.06 ChemAxon refractivity 146.8 ChemAxon polarizability 57.59 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 7 ChemAxon donor_count 5 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 67140 Specdb::MsMs 67141 Specdb::MsMs 67142 Specdb::MsMs 124878 Specdb::MsMs 124879 Specdb::MsMs 124880 Specdb::MsMs 2805048 Specdb::MsMs 2805049 Specdb::MsMs 2805050 Specdb::MsMs 2876351 Specdb::MsMs 2876352 Specdb::MsMs 2876353 Specdb::CMs 11335 Specdb::CMs 43376 Specdb::CMs 281807 Specdb::CMs 337672 Specdb::CMs 337673 Specdb::CMs 337674 Specdb::CMs 337675 Specdb::CMs 337676 Specdb::CMs 337677 Specdb::CMs 337678 Specdb::CMs 337679 Specdb::CMs 337680 Specdb::CMs 337681 Specdb::CMs 337682 Specdb::CMs 337683 Specdb::CMs 337684 Specdb::CMs 337685 Specdb::CMs 337686 Specdb::CMs 337687 Specdb::CMs 337688 Specdb::CMs 337689 Specdb::CMs 337690 Specdb::CMs 337691 Specdb::CMs 337692 Specdb::CMs 337693 HMDB33599 #<Reference:0x000055ce3171c7d0> Pulses Unknown generic