(2S)-2-[2-azanylethanoyl-[2-methyl-2-(phenylmethylsulfanyl)propanoyl]amino]-3-methyl-3-(phenylmethylsulfanyl)-N-propan-2-yl-butanamide

Systemtic Name: (2S)-2-[2-azanylethanoyl-[2-methyl-2-(phenylmethylsulfanyl)propanoyl]amino]-3-methyl-3-(phenylmethylsulfanyl)-N-propan-2-yl-butanamide Openeye Name: (2S)-2-[(2-aminoacetyl)-(2-benzylsulfanyl-2-methyl-propanoyl)amino]-3-benzylsulfanyl-N-isopropyl-3-methyl-butanamide CAS Name: (2S)-2-[(2-amino-1-oxoethyl)-[2-methyl-1-oxo-2-(phenylmethylthio)propyl]amino]-3-methyl-3-(phenylmethylthio)-N-propan-2-ylbutanamide IUPAC Name: (2S)-2-[(2-aminoacetyl)-(2-benzylsulfanyl-2-methylpropanoyl)amino]-3-benzylsulfanyl-3-methyl-N-propan-2-ylbutanamide Traditional Name: (2S)-3-(benzylthio)-2-[[2-(benzylthio)-2-methyl-propanoyl]-glycyl-amino]-N-isopropyl-3-methyl-butyramide Formula: C28H39N3O3S2 MolecularWeight: 529.75756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C(C)(C)SCC1=CC=CC=C1)N(C(=O)CN)C(=O)C(C)(C)SCC2=CC=CC=C2

Isomeric SMILES

CC(C)NC(=O)[C@@H](C(C)(C)SCC1=CC=CC=C1)N(C(=O)CN)C(=O)C(C)(C)SCC2=CC=CC=C2

InChI

InChI=1S/C28H39N3O3S2/c1-20(2)30-25(33)24(27(3,4)35-18-21-13-9-7-10-14-21)31(23(32)17-29)26(34)28(5,6)36-19-22-15-11-8-12-16-22/h7-16,20,24H,17-19,29H2,1-6H3,(H,30,33)/t24-/m0/s1