tert-butyl (2S,4S)-5-[[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]amino]-5-oxidanylidene-4-[(4-phenylphenyl)methyl]-2-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pentanoate

Systemtic Name: tert-butyl (2S,4S)-5-[[3-[(2-methylpropan-2-yl)oxy]-3-oxidanylidene-propyl]amino]-5-oxidanylidene-4-[(4-phenylphenyl)methyl]-2-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pentanoate Openeye Name: tert-butyl (2S,4S)-5-[(3-tert-butoxy-3-oxo-propyl)amino]-5-oxo-4-[(4-phenylphenyl)methyl]-2-[(4-thiazol-2-ylphenyl)methyl]pentanoate CAS Name: (2S,4S)-5-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-5-oxo-4-[(4-phenylphenyl)methyl]-2-[[4-(2-thiazolyl)phenyl]methyl]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4S)-5-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-5-oxo-4-[(4-phenylphenyl)methyl]-2-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pentanoate Traditional Name: (2S,4S)-5-[(3-tert-butoxy-3-keto-propyl)amino]-5-keto-4-(4-phenylbenzyl)-2-(4-thiazol-2-ylbenzyl)valeric acid tert-butyl ester Formula: C39H46N2O5S MolecularWeight: 654.85794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCNC(=O)C(CC1=CC=C(C=C1)C2=CC=CC=C2)CC(CC3=CC=C(C=C3)C4=NC=CS4)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CCNC(=O)[C@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C[C@@H](CC3=CC=C(C=C3)C4=NC=CS4)C(=O)OC(C)(C)C

InChI

InChI=1S/C39H46N2O5S/c1-38(2,3)45-34(42)20-21-40-35(43)32(24-27-12-16-30(17-13-27)29-10-8-7-9-11-29)26-33(37(44)46-39(4,5)6)25-28-14-18-31(19-15-28)36-41-22-23-47-36/h7-19,22-23,32-33H,20-21,24-26H2,1-6H3,(H,40,43)/t32-,33-/m1/s1