(2S)-3-[[4-[[1H-benzimidazol-2-ylmethyl-[(4-phenylphenyl)carbamoyl]amino]methyl]phenyl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[[4-[[1H-benzimidazol-2-ylmethyl-[(4-phenylphenyl)carbamoyl]amino]methyl]phenyl]carbonylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-3-[[4-[[1H-benzimidazol-2-ylmethyl-[(4-phenylphenyl)carbamoyl]amino]methyl]benzoyl]amino]-2-(benzyloxycarbonylamino)propanoic acid CAS Name: (2S)-3-[[[4-[[1H-benzimidazol-2-ylmethyl-[oxo-(4-phenylanilino)methyl]amino]methyl]phenyl]-oxomethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-[[4-[[1H-benzimidazol-2-ylmethyl-[(4-phenylphenyl)carbamoyl]amino]methyl]benzoyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-3-[[4-[[1H-benzimidazol-2-ylmethyl-[(4-phenylphenyl)carbamoyl]amino]methyl]benzoyl]amino]-2-(benzyloxycarbonylamino)propionic acid Formula: C40H36N6O6 MolecularWeight: 696.75044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CNC(=O)C2=CC=C(C=C2)CN(CC3=NC4=CC=CC=C4N3)C(=O)NC5=CC=C(C=C5)C6=CC=CC=C6)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@@H](CNC(=O)C2=CC=C(C=C2)CN(CC3=NC4=CC=CC=C4N3)C(=O)NC5=CC=C(C=C5)C6=CC=CC=C6)C(=O)O

InChI

InChI=1S/C40H36N6O6/c47-37(41-23-35(38(48)49)45-40(51)52-26-28-9-3-1-4-10-28)31-17-15-27(16-18-31)24-46(25-36-43-33-13-7-8-14-34(33)44-36)39(50)42-32-21-19-30(20-22-32)29-11-5-2-6-12-29/h1-22,35H,23-26H2,(H,41,47)(H,42,50)(H,43,44)(H,45,51)(H,48,49)/t35-/m0/s1