2-azanyl-N-[1-[[1-[2-(1-azanyl-2-ethylsulfanyl-1-oxidanylidene-5-phenyl-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-2-ethylsulfanyl-1-oxidanylidene-5-phenyl-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-1-ethylsulfanyl-4-phenyl-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-2-(ethylthio)-1-oxo-5-phenylpentan-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-2-ethylsulfanyl-1-oxo-5-phenylpentan-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-1-(ethylthio)-4-phenyl-butyl]pyrrolidino]-4-keto-2-methoxy-1-sec-butyl-butyl]-methyl-carbamoyl]-2-methyl-propyl]-2,3-dimethyl-butyramide Formula: C38H65N5O5S MolecularWeight: 704.0182

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C38H65N5O5S/c1-11-27(7)33(42(9)34(45)32(25(3)4)41-36(47)37(8,40)26(5)6)29(48-10)24-31(44)43-23-17-21-30(43)38(35(39)46,49-12-2)22-16-20-28-18-14-13-15-19-28/h13-15,18-19,25-27,29-30,32-33H,11-12,16-17,20-24,40H2,1-10H3,(H2,39,46)(H,41,47)