(2S)-5-[[(2R)-3-(4-acetamidophenyl)sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-azanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-[[(2R)-3-(4-acetamidophenyl)sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-[[(1R)-1-[(4-acetamidophenyl)sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-2-amino-5-oxo-pentanoic acid CAS Name: (2S)-5-[[(2R)-3-[(4-acetamidophenyl)thio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid IUPAC Name: (2S)-5-[[(2R)-3-(4-acetamidophenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-2-amino-5-oxopentanoic acid Traditional Name: (2S)-5-[[(1R)-1-[[(4-acetamidophenyl)thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-2-amino-5-keto-valeric acid Formula: C18H24N4O7S MolecularWeight: 440.47076

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C18H24N4O7S/c1-10(23)21-11-2-4-12(5-3-11)30-9-14(17(27)20-8-16(25)26)22-15(24)7-6-13(19)18(28)29/h2-5,13-14H,6-9,19H2,1H3,(H,20,27)(H,21,23)(H,22,24)(H,25,26)(H,28,29)/t13-,14-/m0/s1