(2S)-2-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-phenacylsulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-phenacylsulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[[2-(carboxymethylamino)-2-oxo-1-(phenacylsulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-(phenacylthio)propan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-phenacylsulfanylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-[[2-(carboxymethylamino)-2-keto-1-[(phenacylthio)methyl]ethyl]amino]-5-keto-valeric acid Formula: C18H23N3O7S MolecularWeight: 425.45612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O7S/c19-12(18(27)28)6-7-15(23)21-13(17(26)20-8-16(24)25)9-29-10-14(22)11-4-2-1-3-5-11/h1-5,12-13H,6-10,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)/t12-,13?/m0/s1