2-[[methyl-[2-(3-methylbutylcarbamoylamino)-3-phenyl-propanoyl]amino]methyl]-3-phenylsulfanyl-propanoic acid

Systemtic Name: 2-[[methyl-[2-(3-methylbutylcarbamoylamino)-3-phenyl-propanoyl]amino]methyl]-3-phenylsulfanyl-propanoic acid Openeye Name: 2-[[[2-(isopentylcarbamoylamino)-3-phenyl-propanoyl]-methyl-amino]methyl]-3-phenylsulfanyl-propanoic acid CAS Name: 2-[[methyl-[2-[[(3-methylbutylamino)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]methyl]-3-(phenylthio)propanoic acid IUPAC Name: 2-[[methyl-[2-(3-methylbutylcarbamoylamino)-3-phenylpropanoyl]amino]methyl]-3-phenylsulfanylpropanoic acid Traditional Name: 2-[[[2-(isoamylcarbamoylamino)-3-phenyl-propanoyl]-methyl-amino]methyl]-3-(phenylthio)propionic acid Formula: C26H35N3O4S MolecularWeight: 485.6388

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O4S/c1-19(2)14-15-27-26(33)28-23(16-20-10-6-4-7-11-20)24(30)29(3)17-21(25(31)32)18-34-22-12-8-5-9-13-22/h4-13,19,21,23H,14-18H2,1-3H3,(H,31,32)(H2,27,28,33)