3-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-4-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]-4-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-3-[(2-amino-4-methylsulfanyl-butanoyl)amino]-4-oxo-butanoic acid CAS Name: 3-[[2-amino-4-(methylthio)-1-oxobutyl]amino]-4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid IUPAC Name: 3-[(2-amino-4-methylsulfanylbutanoyl)amino]-4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(2-amino-1-benzyl-2-keto-ethyl)amino]-3-[[2-amino-4-(methylthio)butanoyl]amino]-4-keto-butyric acid Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)N

Isomeric SMILES

CSCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)N

InChI

InChI=1S/C18H26N4O5S/c1-28-8-7-12(19)17(26)22-14(10-15(23)24)18(27)21-13(16(20)25)9-11-5-3-2-4-6-11/h2-6,12-14H,7-10,19H2,1H3,(H2,20,25)(H,21,27)(H,22,26)(H,23,24)