(2S)-2-[2-azanylbutanoyl-[(2S)-2-formamido-4-methyl-4-methylsulfinyl-pentanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-azanylbutanoyl-[(2S)-2-formamido-4-methyl-4-methylsulfinyl-pentanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[2-aminobutanoyl-[(2S)-2-formamido-4-methyl-4-methylsulfinyl-pentanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[(2-amino-1-oxobutyl)-[(2S)-2-formamido-4-methyl-4-methylsulfinyl-1-oxopentyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[2-aminobutanoyl-[(2S)-2-formamido-4-methyl-4-methylsulfinylpentanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[2-aminobutanoyl-[(2S)-2-formamido-4-methyl-4-methylsulfinyl-pentanoyl]amino]-3-phenyl-propionic acid Formula: C21H31N3O6S MolecularWeight: 453.55234

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N(C(CC1=CC=CC=C1)C(=O)O)C(=O)C(CC(C)(C)S(=O)C)NC=O)N

Isomeric SMILES

CCC(C(=O)N([C@@H](CC1=CC=CC=C1)C(=O)O)C(=O)[C@H](CC(C)(C)S(=O)C)NC=O)N

InChI

InChI=1S/C21H31N3O6S/c1-5-15(22)18(26)24(17(20(28)29)11-14-9-7-6-8-10-14)19(27)16(23-13-25)12-21(2,3)31(4)30/h6-10,13,15-17H,5,11-12,22H2,1-4H3,(H,23,25)(H,28,29)/t15?,16-,17-,31?/m0/s1