methyl (2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]-methanoyl-amino]-2-methyl-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]-methanoyl-amino]-2-methyl-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoyl]-formyl-amino]-2-methyl-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]amino]-4-methyl-1-oxopentyl]-formylamino]-2-methyl-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]-formylamino]-2-methyl-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-[[(2S)-2-amino-4-(methylthio)butanoyl]amino]-4-methyl-pentanoyl]-formyl-amino]-2-methyl-3-phenyl-propionic acid methyl ester Formula: C23H35N3O5S MolecularWeight: 465.6061

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C=O)C(C)(CC1=CC=CC=C1)C(=O)OC)NC(=O)C(CCSC)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N(C=O)[C@@](C)(CC1=CC=CC=C1)C(=O)OC)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C23H35N3O5S/c1-16(2)13-19(25-20(28)18(24)11-12-32-5)21(29)26(15-27)23(3,22(30)31-4)14-17-9-7-6-8-10-17/h6-10,15-16,18-19H,11-14,24H2,1-5H3,(H,25,28)/t18-,19-,23-/m0/s1