2-[[2-[(4-methoxyphenyl)methoxycarbonylamino]-3-(pyridin-4-ylmethylsulfanyl)propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-[(4-methoxyphenyl)methoxycarbonylamino]-3-(pyridin-4-ylmethylsulfanyl)propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-[(4-methoxyphenyl)methoxycarbonylamino]-3-(4-pyridylmethylsulfanyl)propanoyl]amino]acetic acid CAS Name: 2-[[2-[[(4-methoxyphenyl)methoxy-oxomethyl]amino]-1-oxo-3-(pyridin-4-ylmethylthio)propyl]amino]acetic acid IUPAC Name: 2-[[2-[(4-methoxyphenyl)methoxycarbonylamino]-3-(pyridin-4-ylmethylsulfanyl)propanoyl]amino]acetic acid Traditional Name: 2-[[2-(p-anisyloxycarbonylamino)-3-(4-pyridylmethylthio)propanoyl]amino]acetic acid Formula: C20H23N3O6S MolecularWeight: 433.47812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)COC(=O)NC(CSCC2=CC=NC=C2)C(=O)NCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)COC(=O)NC(CSCC2=CC=NC=C2)C(=O)NCC(=O)O

InChI

InChI=1S/C20H23N3O6S/c1-28-16-4-2-14(3-5-16)11-29-20(27)23-17(19(26)22-10-18(24)25)13-30-12-15-6-8-21-9-7-15/h2-9,17H,10-13H2,1H3,(H,22,26)(H,23,27)(H,24,25)