N-[(2S,4S,5S,7R)-4-azanyl-8-(butylamino)-7-methyl-5-oxidanyl-8-oxidanylidene-2-propan-2-yl-octyl]-1-pyridin-2-yl-indole-3-carboxamide

Systemtic Name: N-[(2S,4S,5S,7R)-4-azanyl-8-(butylamino)-7-methyl-5-oxidanyl-8-oxidanylidene-2-propan-2-yl-octyl]-1-pyridin-2-yl-indole-3-carboxamide Openeye Name: N-[(2S,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-2-isopropyl-7-methyl-8-oxo-octyl]-1-(2-pyridyl)indole-3-carboxamide CAS Name: N-[(2S,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-8-oxo-2-propan-2-yloctyl]-1-(2-pyridinyl)-3-indolecarboxamide IUPAC Name: N-[(2S,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-7-methyl-8-oxo-2-propan-2-yloctyl]-1-pyridin-2-ylindole-3-carboxamide Traditional Name: N-[(2S,4S,5S,7R)-4-amino-8-(butylamino)-5-hydroxy-2-isopropyl-8-keto-7-methyl-octyl]-1-(2-pyridyl)indole-3-carboxamide Formula: C30H43N5O3 MolecularWeight: 521.69412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(C)CC(C(CC(CNC(=O)C1=CN(C2=CC=CC=C21)C3=CC=CC=N3)C(C)C)N)O

Isomeric SMILES

CCCCNC(=O)[C@H](C)C[C@@H]([C@H](C[C@H](CNC(=O)C1=CN(C2=CC=CC=C21)C3=CC=CC=N3)C(C)C)N)O

InChI

InChI=1S/C30H43N5O3/c1-5-6-14-33-29(37)21(4)16-27(36)25(31)17-22(20(2)3)18-34-30(38)24-19-35(28-13-9-10-15-32-28)26-12-8-7-11-23(24)26/h7-13,15,19-22,25,27,36H,5-6,14,16-18,31H2,1-4H3,(H,33,37)(H,34,38)/t21-,22-,25+,27+/m1/s1