ethyl 2-azanyl-5-[[(2R)-1-[[(1R)-2-ethoxy-2-oxidanylidene-1-phenyl-ethyl]amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: ethyl 2-azanyl-5-[[(2R)-1-[[(1R)-2-ethoxy-2-oxidanylidene-1-phenyl-ethyl]amino]-1-oxidanylidene-3-(phenylmethylsulfanyl)propan-2-yl]amino]-5-oxidanylidene-pentanoate Openeye Name: ethyl 2-amino-5-[[(1R)-1-(benzylsulfanylmethyl)-2-[[(1R)-2-ethoxy-2-oxo-1-phenyl-ethyl]amino]-2-oxo-ethyl]amino]-5-oxo-pentanoate CAS Name: 2-amino-5-[[(2R)-1-[[(1R)-2-ethoxy-2-oxo-1-phenylethyl]amino]-1-oxo-3-(phenylmethylthio)propan-2-yl]amino]-5-oxopentanoic acid ethyl ester IUPAC Name: ethyl 2-amino-5-[[(2R)-3-benzylsulfanyl-1-[[(1R)-2-ethoxy-2-oxo-1-phenylethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoate Traditional Name: 2-amino-5-[[(1R)-1-[(benzylthio)methyl]-2-[[(1R)-2-ethoxy-2-keto-1-phenyl-ethyl]amino]-2-keto-ethyl]amino]-5-keto-valeric acid ethyl ester Formula: C27H35N3O6S MolecularWeight: 529.6483

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)NC(CSCC1=CC=CC=C1)C(=O)NC(C2=CC=CC=C2)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)[C@@H](C1=CC=CC=C1)NC(=O)[C@H](CSCC2=CC=CC=C2)NC(=O)CCC(C(=O)OCC)N

InChI

InChI=1S/C27H35N3O6S/c1-3-35-26(33)21(28)15-16-23(31)29-22(18-37-17-19-11-7-5-8-12-19)25(32)30-24(27(34)36-4-2)20-13-9-6-10-14-20/h5-14,21-22,24H,3-4,15-18,28H2,1-2H3,(H,29,31)(H,30,32)/t21?,22-,24+/m0/s1