2-azanyl-N-[1-[[1-[2-(1-azanyl-1-oxidanylidene-5-phenyl-2-phenylsulfanyl-pentan-2-yl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxidanylidene-heptan-4-yl]-methyl-amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2,3-dimethyl-butanamide

Systemtic Name: 2-azanyl-N-[1-[[1-[2-(1-azanyl-1-oxidanylidene-5-phenyl-2-phenylsulfanyl-pentan-2-yl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxidanylidene-heptan-4-yl]-methyl-amino]-3-methyl-1-oxidanylidene-butan-2-yl]-2,3-dimethyl-butanamide Openeye Name: 2-amino-N-[1-[[4-[2-(1-carbamoyl-4-phenyl-1-phenylsulfanyl-butyl)pyrrolidin-1-yl]-2-methoxy-4-oxo-1-sec-butyl-butyl]-methyl-carbamoyl]-2-methyl-propyl]-2,3-dimethyl-butanamide CAS Name: 2-amino-N-[1-[[1-[2-[1-amino-1-oxo-5-phenyl-2-(phenylthio)pentan-2-yl]-1-pyrrolidinyl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-2,3-dimethylbutanamide IUPAC Name: 2-amino-N-[1-[[1-[2-(1-amino-1-oxo-5-phenyl-2-phenylsulfanylpentan-2-yl)pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]-2,3-dimethylbutanamide Traditional Name: 2-amino-N-[1-[[4-[2-[1-carbamoyl-4-phenyl-1-(phenylthio)butyl]pyrrolidino]-4-keto-2-methoxy-1-sec-butyl-butyl]-methyl-carbamoyl]-2-methyl-propyl]-2,3-dimethyl-butyramide Formula: C42H65N5O5S MolecularWeight: 752.061

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(CC(=O)N1CCCC1C(CCCC2=CC=CC=C2)(C(=O)N)SC3=CC=CC=C3)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C)(C(C)C)N

Isomeric SMILES

CCC(C)C(C(CC(=O)N1CCCC1C(CCCC2=CC=CC=C2)(C(=O)N)SC3=CC=CC=C3)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C)(C(C)C)N

InChI

InChI=1S/C42H65N5O5S/c1-10-30(6)37(46(8)38(49)36(28(2)3)45-40(51)41(7,44)29(4)5)33(52-9)27-35(48)47-26-18-24-34(47)42(39(43)50,53-32-22-15-12-16-23-32)25-17-21-31-19-13-11-14-20-31/h11-16,19-20,22-23,28-30,33-34,36-37H,10,17-18,21,24-27,44H2,1-9H3,(H2,43,50)(H,45,51)