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

Systemtic Name: 4-azanyl-3-[[4-[[2-azanyl-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-phenyl-phenyl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-3-[[4-[[2-amino-6-(benzyloxycarbonylamino)hexanoyl]amino]-2-phenyl-benzoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-3-[[[4-[[2-amino-1-oxo-6-(phenylmethoxycarbonylamino)hexyl]amino]-2-phenylphenyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-3-[[4-[[2-amino-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-2-phenylbenzoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-3-[[4-[[2-amino-6-(benzyloxycarbonylamino)hexanoyl]amino]-2-phenyl-benzoyl]amino]-4-keto-butyric acid Formula: C31H35N5O7 MolecularWeight: 589.6389

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)NC2=CC(=C(C=C2)C(=O)NC(CC(=O)O)C(=O)N)C3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCCC(C(=O)NC2=CC(=C(C=C2)C(=O)NC(CC(=O)O)C(=O)N)C3=CC=CC=C3)N

InChI

InChI=1S/C31H35N5O7/c32-25(13-7-8-16-34-31(42)43-19-20-9-3-1-4-10-20)30(41)35-22-14-15-23(24(17-22)21-11-5-2-6-12-21)29(40)36-26(28(33)39)18-27(37)38/h1-6,9-12,14-15,17,25-26H,7-8,13,16,18-19,32H2,(H2,33,39)(H,34,42)(H,35,41)(H,36,40)(H,37,38)