2-[[(4-ethoxy-4-oxidanylidene-1-phenylsulfanyl-butan-2-yl)-(3-methylbutyl)carbamoyl]amino]-3-(4-phenylphenyl)propanoate

Systemtic Name: 2-[[(4-ethoxy-4-oxidanylidene-1-phenylsulfanyl-butan-2-yl)-(3-methylbutyl)carbamoyl]amino]-3-(4-phenylphenyl)propanoate Openeye Name: 2-[[[3-ethoxy-3-oxo-1-(phenylsulfanylmethyl)propyl]-isopentyl-carbamoyl]amino]-3-(4-phenylphenyl)propanoate CAS Name: 2-[[[[4-ethoxy-4-oxo-1-(phenylthio)butan-2-yl]-(3-methylbutyl)amino]-oxomethyl]amino]-3-(4-phenylphenyl)propanoate IUPAC Name: 2-[[(4-ethoxy-4-oxo-1-phenylsulfanylbutan-2-yl)-(3-methylbutyl)carbamoyl]amino]-3-(4-phenylphenyl)propanoate Traditional Name: 2-[[[3-ethoxy-3-keto-1-[(phenylthio)methyl]propyl]-isoamyl-carbamoyl]amino]-3-(4-phenylphenyl)propionate Formula: C33H39N2O5S- MolecularWeight: 575.73816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CSC1=CC=CC=C1)N(CCC(C)C)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)[O-]

Isomeric SMILES

CCOC(=O)CC(CSC1=CC=CC=C1)N(CCC(C)C)C(=O)NC(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)[O-]

InChI

InChI=1S/C33H40N2O5S/c1-4-40-31(36)22-28(23-41-29-13-9-6-10-14-29)35(20-19-24(2)3)33(39)34-30(32(37)38)21-25-15-17-27(18-16-25)26-11-7-5-8-12-26/h5-18,24,28,30H,4,19-23H2,1-3H3,(H,34,39)(H,37,38)/p-1