(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-4-methyl-N-(4-nitrophenyl)pentanamide

Systemtic Name: (2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-4-methyl-N-(4-nitrophenyl)pentanamide Openeye Name: (2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-4-methyl-N-(4-nitrophenyl)pentanamide CAS Name: (2S)-2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-4-methyl-N-(4-nitrophenyl)pentanamide IUPAC Name: (2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methyl-N-(4-nitrophenyl)pentanamide Traditional Name: (2S)-2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-4-methyl-N-(4-nitrophenyl)valeramide Formula: C17H26N4O4S MolecularWeight: 382.47774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)C(CCSC)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C17H26N4O4S/c1-11(2)10-15(20-16(22)14(18)8-9-26-3)17(23)19-12-4-6-13(7-5-12)21(24)25/h4-7,11,14-15H,8-10,18H2,1-3H3,(H,19,23)(H,20,22)/t14-,15-/m0/s1