tert-butyl (2S)-2-[[4-(4-azanyl-4-oxidanylidene-butoxy)-2-methoxy-phenyl]methyl-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[4-(4-azanyl-4-oxidanylidene-butoxy)-2-methoxy-phenyl]methyl-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[[4-(4-amino-4-oxo-butoxy)-2-methoxy-phenyl]methyl-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[4-(4-amino-4-oxobutoxy)-2-methoxyphenyl]methyl-[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-(4-amino-4-oxobutoxy)-2-methoxyphenyl]methyl-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(4-amino-4-keto-butoxy)-2-methoxy-benzyl]-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]amino]-3-methyl-butyric acid tert-butyl ester Formula: C34H49N3O8 MolecularWeight: 627.76816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(CC1=C(C=C(C=C1)OCCCC(=O)N)OC)C(C(C)C)C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)N(CC1=C(C=C(C=C1)OCCCC(=O)N)OC)[C@@H](C(C)C)C(=O)OC(C)(C)C)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C34H49N3O8/c1-22(2)29(36-33(41)44-21-24-13-10-9-11-14-24)31(39)37(30(23(3)4)32(40)45-34(5,6)7)20-25-16-17-26(19-27(25)42-8)43-18-12-15-28(35)38/h9-11,13-14,16-17,19,22-23,29-30H,12,15,18,20-21H2,1-8H3,(H2,35,38)(H,36,41)/t29-,30-/m0/s1