N-[(2S,3R)-4-(2,6-dimethylheptan-2-ylamino)-3-oxidanyl-1-phenyl-butan-2-yl]-3-ethyl-1-phenethyl-indole-5-carboxamide

Systemtic Name: N-[(2S,3R)-4-(2,6-dimethylheptan-2-ylamino)-3-oxidanyl-1-phenyl-butan-2-yl]-3-ethyl-1-phenethyl-indole-5-carboxamide Openeye Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(1,1,5-trimethylhexylamino)propyl]-3-ethyl-1-phenethyl-indole-5-carboxamide CAS Name: N-[(2S,3R)-4-(2,6-dimethylheptan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-ethyl-1-phenethyl-5-indolecarboxamide IUPAC Name: N-[(2S,3R)-4-(2,6-dimethylheptan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl]-3-ethyl-1-phenethylindole-5-carboxamide Traditional Name: N-[(1S,2R)-1-benzyl-2-hydroxy-3-(1,1,5-trimethylhexylamino)propyl]-3-ethyl-1-phenethyl-indole-5-carboxamide Formula: C38H51N3O2 MolecularWeight: 581.83044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN(C2=C1C=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(CNC(C)(C)CCCC(C)C)O)CCC4=CC=CC=C4

Isomeric SMILES

CCC1=CN(C2=C1C=C(C=C2)C(=O)N[C@@H](CC3=CC=CC=C3)[C@@H](CNC(C)(C)CCCC(C)C)O)CCC4=CC=CC=C4

InChI

InChI=1S/C38H51N3O2/c1-6-31-27-41(23-21-29-15-9-7-10-16-29)35-20-19-32(25-33(31)35)37(43)40-34(24-30-17-11-8-12-18-30)36(42)26-39-38(4,5)22-13-14-28(2)3/h7-12,15-20,25,27-28,34,36,39,42H,6,13-14,21-24,26H2,1-5H3,(H,40,43)/t34-,36+/m0/s1