O5-tert-butyl O1-methyl 2-[[3-methyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]butanoyl]amino]pentanedioate

Systemtic Name: O5-tert-butyl O1-methyl 2-[[3-methyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]butanoyl]amino]pentanedioate Openeye Name: O5-tert-butyl O1-methyl 2-[[2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]pentanedioate CAS Name: 2-[[3-methyl-2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-1-oxobutyl]amino]pentanedioic acid O5-tert-butyl ester O1-methyl ester IUPAC Name: 5-O-tert-butyl 1-O-methyl 2-[[3-methyl-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]butanoyl]amino]pentanedioate Traditional Name: 2-[[2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]glutaric acid O5-tert-butyl ester O1-methyl ester Formula: C29H45N3O8 MolecularWeight: 563.6829

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C29H45N3O8/c1-9-19(4)24(32-28(37)39-17-20-13-11-10-12-14-20)26(35)31-23(18(2)3)25(34)30-21(27(36)38-8)15-16-22(33)40-29(5,6)7/h10-14,18-19,21,23-24H,9,15-17H2,1-8H3,(H,30,34)(H,31,35)(H,32,37)