(3S)-2-[(4-methoxyphenyl)methylsulfanyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-[(triphenylmethyl)amino]hexanoic acid

Systemtic Name: (3S)-2-[(4-methoxyphenyl)methylsulfanyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxidanylidene-6-[(triphenylmethyl)amino]hexanoic acid Openeye Name: (3S)-3-(tert-butoxycarbonylamino)-2-[(4-methoxyphenyl)methylsulfanyl]-6-oxo-6-(tritylamino)hexanoic acid CAS Name: (3S)-2-[(4-methoxyphenyl)methylthio]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-oxo-6-[(triphenylmethyl)amino]hexanoic acid IUPAC Name: (3S)-2-[(4-methoxyphenyl)methylsulfanyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxo-6-(tritylamino)hexanoic acid Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-6-keto-2-(p-anisylthio)-6-(tritylamino)hexanoic acid Formula: C38H42N2O6S MolecularWeight: 654.81488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C(=O)O)SCC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(C(=O)O)SCC4=CC=C(C=C4)OC

InChI

InChI=1S/C38H42N2O6S/c1-37(2,3)46-36(44)39-32(34(35(42)43)47-26-27-20-22-31(45-4)23-21-27)24-25-33(41)40-38(28-14-8-5-9-15-28,29-16-10-6-11-17-29)30-18-12-7-13-19-30/h5-23,32,34H,24-26H2,1-4H3,(H,39,44)(H,40,41)(H,42,43)/t32-,34?/m0/s1