Summary

SMILES: CC[C@@H]([C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(C)C)OC(=O)CCNC(=O)[C@@H](N(C(=O)C(N(C1=O)C)[C@H](CC)C)C)C)C
InChI: InChI=1S/C31H53N5O7/c1-10-19(5)25-30(41)35(9)26(20(6)11-2)31(42)34(8)21(7)27(38)32-15-14-24(37)43-23(17-18(3)4)29(40)36-16-12-13-22(36)28(39)33-25/h18-23,25-26H,10-17H2,1-9H3,(H,32,38)(H,33,39)/t19-,20-,21-,22-,23+,25-,26?/m0/s1
InChIKey: WWALEZSSEHJILM-GNUKRQLOSA-N
DeepSMILES: CC[C@@H][C@@H]NC=O)[C@@H]CCCN5C=O)[C@@H]CCC)C)))OC=O)CCNC=O)[C@@H]NC=O)CNC%22=O))C))[C@H]CC))C))))C))C))))))))))))))))))C
Scaffold Graph/Node/Bond level: O=C1CNC(=O)CNC(=O)CNC(=O)C2CCCN2C(=O)COC(=O)CCN1
Scaffold Graph/Node level: OC1CNC(O)CNC(O)CNC(O)C2CCCN2C(O)COC(O)CCN1
Scaffold Graph level: CC1CCCC(C)CCC(C)C2CCCC2C(C)CCC(C)CCC(C)CC1
Functional groups: CC(=O)N(C)C; CC(=O)OC; CN(C)C(C)=O; CNC(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organic acids and derivatives
ClassyFire Class: Peptidomimetics
ClassyFire Subclass: Depsipeptides
NP Classifier Biosynthetic pathway: Amino acids and Peptides|Polyketides
NP Classifier Superclass: Oligopeptides
NP Classifier Class: Cyclic peptides|Depsipeptides

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Synonymous chemical names:
homodestruxin b

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External chemical identifiers:
CID:163819

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Chemical structure download