tert-butyl 2-[[methyl-[2-(3-methylbutylcarbamoylamino)-3-phenyl-propanoyl]amino]methyl]-3-phenylsulfanyl-propanoate

Systemtic Name: tert-butyl 2-[[methyl-[2-(3-methylbutylcarbamoylamino)-3-phenyl-propanoyl]amino]methyl]-3-phenylsulfanyl-propanoate Openeye Name: tert-butyl 2-[[[2-(isopentylcarbamoylamino)-3-phenyl-propanoyl]-methyl-amino]methyl]-3-phenylsulfanyl-propanoate CAS Name: 2-[[methyl-[2-[[(3-methylbutylamino)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]methyl]-3-(phenylthio)propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[methyl-[2-(3-methylbutylcarbamoylamino)-3-phenylpropanoyl]amino]methyl]-3-phenylsulfanylpropanoate Traditional Name: 2-[[[2-(isoamylcarbamoylamino)-3-phenyl-propanoyl]-methyl-amino]methyl]-3-(phenylthio)propionic acid tert-butyl ester Formula: C30H43N3O4S MolecularWeight: 541.74512

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)N(C)CC(CSC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCNC(=O)NC(CC1=CC=CC=C1)C(=O)N(C)CC(CSC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H43N3O4S/c1-22(2)17-18-31-29(36)32-26(19-23-13-9-7-10-14-23)27(34)33(6)20-24(28(35)37-30(3,4)5)21-38-25-15-11-8-12-16-25/h7-16,22,24,26H,17-21H2,1-6H3,(H2,31,32,36)