Summary

SMILES: CCC(C1NC(=O)C2C(CCN2C(=O)C(N2CN(C(C2=O)C)C)C(C)C)OC2=CC=C(C(/C=CNC1=O)C2)OC)C
InChI: InChI=1S/C30H45N5O6/c1-8-18(4)24-27(36)31-13-11-20-15-21(9-10-22(20)40-7)41-23-12-14-34(26(23)28(37)32-24)30(39)25(17(2)3)35-16-33(6)19(5)29(35)38/h9-11,13,17-20,23-26H,8,12,14-16H2,1-7H3,(H,31,36)(H,32,37)/b13-11-
InChIKey: UXKBFRKXLIYCTE-QBFSEMIESA-N
DeepSMILES: CCCCNC=O)CCCCN5C=O)CNCNCC5=O))C))C))))CC)C)))))))OC=CC=CC/C=CNC%15=O)))))C6))OC))))))))))))C
Scaffold Graph/Node/Bond level: O=C1CNC(=O)C2C(CCN2C(=O)CN2CNCC2=O)OC2=CC=CC(C=CN1)C2
Scaffold Graph/Node level: OC1CNC(O)C2C(CCN2C(O)CN2CNCC2O)OC2CCCC(CCN1)C2
Scaffold Graph level: CC1CCCC2CCCC(C2)CC2CCC(C(C)CC3CCCC3C)C2C(C)CC1
Functional groups: C/C=C/NC(C)=O; CC(=O)N(C)C; CN1CC(=O)N(C)C1; CNC(C)=O; COC1=CC=C(OC)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organic acids and derivatives
ClassyFire Class: Carboxylic acids and derivatives
ClassyFire Subclass: Amino acids, peptides, and analogues
NP Classifier Biosynthetic pathway: Amino acids and Peptides
NP Classifier Superclass: Oligopeptides
NP Classifier Class: Cyclic peptides

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Synonymous chemical names:
sativanine d

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External chemical identifiers:
CID:101419713

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Chemical structure download