2-[[(2S)-2-[(4-acetyloxyphenyl)methoxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]ethanoic acid

Systemtic Name: 2-[[(2S)-2-[(4-acetyloxyphenyl)methoxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]ethanoic acid Openeye Name: 2-[[(2S)-2-[(4-acetoxyphenyl)methoxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]acetic acid CAS Name: 2-[[(2S)-2-[[(4-acetyloxyphenyl)methoxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]acetic acid IUPAC Name: 2-[[(2S)-2-[(4-acetyloxyphenyl)methoxycarbonylamino]-4-methylsulfanylbutanoyl]amino]acetic acid Traditional Name: 2-[[(2S)-2-[(4-acetoxybenzyl)oxycarbonylamino]-4-(methylthio)butanoyl]amino]acetic acid Formula: C17H22N2O7S MolecularWeight: 398.43078

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)COC(=O)NC(CCSC)C(=O)NCC(=O)O

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)COC(=O)N[C@@H](CCSC)C(=O)NCC(=O)O

InChI

InChI=1S/C17H22N2O7S/c1-11(20)26-13-5-3-12(4-6-13)10-25-17(24)19-14(7-8-27-2)16(23)18-9-15(21)22/h3-6,14H,7-10H2,1-2H3,(H,18,23)(H,19,24)(H,21,22)/t14-/m0/s1