2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-phenylmethoxycarbonyl-amino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-phenylmethoxycarbonyl-amino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]-benzyloxycarbonyl-amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-phenylmethoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]-phenylmethoxycarbonylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[2-amino-3-(1H-imidazol-5-yl)propanoyl]-carbobenzoxy-amino]-3-(1H-indol-3-yl)propionic acid Formula: C25H25N5O5 MolecularWeight: 475.4965

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(C(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)C(CC4=CN=CN4)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(C(CC2=CNC3=CC=CC=C32)C(=O)O)C(=O)C(CC4=CN=CN4)N

InChI

InChI=1S/C25H25N5O5/c26-20(11-18-13-27-15-29-18)23(31)30(25(34)35-14-16-6-2-1-3-7-16)22(24(32)33)10-17-12-28-21-9-5-4-8-19(17)21/h1-9,12-13,15,20,22,28H,10-11,14,26H2,(H,27,29)(H,32,33)