ethyl 2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(naphthalen-1-ylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(naphthalen-1-ylmethylsulfanyl)propanoate Openeye Name: ethyl 2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-(1-naphthylmethylsulfanyl)propanoate CAS Name: 2-[[4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-3-(1-naphthalenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-(naphthalen-1-ylmethylsulfanyl)propanoate Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-(1-naphthylmethylthio)propionic acid ethyl ester Formula: C30H36N2O5S MolecularWeight: 536.68224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC2=CC=CC=C21)NC(=O)C(CC(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC2=CC=CC=C21)NC(=O)C(CC(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C30H36N2O5S/c1-4-36-29(34)27(20-38-19-24-15-10-14-23-13-8-9-16-25(23)24)31-28(33)26(17-21(2)3)32-30(35)37-18-22-11-6-5-7-12-22/h5-16,21,26-27H,4,17-20H2,1-3H3,(H,31,33)(H,32,35)