3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]pentanoic acid

Systemtic Name: 3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(triphenylmethyl)sulfanyl-propanoyl]amino]pentanoic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-3-tritylsulfanyl-propanoyl]amino]-3-methyl-pentanoic acid CAS Name: 3-methyl-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-[(triphenylmethyl)thio]propyl]amino]pentanoic acid IUPAC Name: 3-methyl-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoyl]amino]pentanoic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-3-(tritylthio)propanoyl]amino]-3-methyl-valeric acid Formula: C33H40N2O5S MolecularWeight: 576.7461

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)O)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C)C(C(=O)O)NC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C33H40N2O5S/c1-6-23(2)28(30(37)38)35-29(36)27(34-31(39)40-32(3,4)5)22-41-33(24-16-10-7-11-17-24,25-18-12-8-13-19-25)26-20-14-9-15-21-26/h7-21,23,27-28H,6,22H2,1-5H3,(H,34,39)(H,35,36)(H,37,38)