tert-butyl (2S)-3-methyl-2-[[(2R)-4-methyl-2-[[2-oxidanylidene-3-[[(2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]pentanoyl]amino]butanoate

Systemtic Name: tert-butyl (2S)-3-methyl-2-[[(2R)-4-methyl-2-[[2-oxidanylidene-3-[[(2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]pentanoyl]amino]butanoate Openeye Name: tert-butyl (2S)-2-[[(2R)-2-[[3-[[(2S)-2-(benzyloxycarbonylamino)-4-phenyl-butanoyl]amino]-2-oxo-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2R)-2-[[1,2-dioxo-3-[[(2S)-1-oxo-4-phenyl-2-(phenylmethoxycarbonylamino)butyl]amino]pentyl]amino]-4-methyl-1-oxopentyl]amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-3-methyl-2-[[(2R)-4-methyl-2-[[2-oxo-3-[[(2S)-4-phenyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]pentanoyl]amino]butanoate Traditional Name: (2S)-2-[[(2R)-2-[[3-[[(2S)-2-(benzyloxycarbonylamino)-4-phenyl-butanoyl]amino]-2-keto-pentanoyl]amino]-4-methyl-pentanoyl]amino]-3-methyl-butyric acid tert-butyl ester Formula: C38H54N4O8 MolecularWeight: 694.85736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(=O)NC(CC(C)C)C(=O)NC(C(C)C)C(=O)OC(C)(C)C)NC(=O)C(CCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C(=O)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC(C)(C)C)NC(=O)[C@H](CCC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C38H54N4O8/c1-9-28(32(43)35(46)40-30(22-24(2)3)34(45)42-31(25(4)5)36(47)50-38(6,7)8)39-33(44)29(21-20-26-16-12-10-13-17-26)41-37(48)49-23-27-18-14-11-15-19-27/h10-19,24-25,28-31H,9,20-23H2,1-8H3,(H,39,44)(H,40,46)(H,41,48)(H,42,45)/t28?,29-,30+,31-/m0/s1