3-[[4-[[2-acetamido-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-phenyl-phenyl]carbonylamino]-4-azanyl-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[[4-[[2-acetamido-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-phenyl-phenyl]carbonylamino]-4-azanyl-4-oxidanylidene-butanoic acid Openeye Name: 3-[[4-[[2-acetamido-6-(benzyloxycarbonylamino)hexanoyl]amino]-2-phenyl-benzoyl]amino]-4-amino-4-oxo-butanoic acid CAS Name: 3-[[[4-[[2-acetamido-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]-2-phenylphenyl]-oxomethyl]amino]-4-amino-4-oxobutanoic acid IUPAC Name: 3-[[4-[[2-acetamido-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-phenylbenzoyl]amino]-4-amino-4-oxobutanoic acid Traditional Name: 3-[[4-[[2-acetamido-6-(benzyloxycarbonylamino)hexanoyl]amino]-2-phenyl-benzoyl]amino]-4-amino-4-keto-butyric acid Formula: C33H37N5O8 MolecularWeight: 631.67558

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)C(=O)NC(CC(=O)O)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(CCCCNC(=O)OCC1=CC=CC=C1)C(=O)NC2=CC(=C(C=C2)C(=O)NC(CC(=O)O)C(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C33H37N5O8/c1-21(39)36-27(14-8-9-17-35-33(45)46-20-22-10-4-2-5-11-22)32(44)37-24-15-16-25(26(18-24)23-12-6-3-7-13-23)31(43)38-28(30(34)42)19-29(40)41/h2-7,10-13,15-16,18,27-28H,8-9,14,17,19-20H2,1H3,(H2,34,42)(H,35,45)(H,36,39)(H,37,44)(H,38,43)(H,40,41)