(phenylmethyl) (2S)-2-[[5-(5-azanylpentylcarbamoyl)-1H-imidazol-4-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[[5-(5-azanylpentylcarbamoyl)-1H-imidazol-4-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: benzyl (2S)-2-[[5-(5-aminopentylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[5-[(5-aminopentylamino)-oxomethyl]-1H-imidazol-4-yl]-oxomethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[[5-(5-aminopentylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[5-(5-aminopentylcarbamoyl)-1H-imidazole-4-carbonyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C26H31N5O4 MolecularWeight: 477.55544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)C3=C(NC=N3)C(=O)NCCCCCN

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)C3=C(NC=N3)C(=O)NCCCCCN

InChI

InChI=1S/C26H31N5O4/c27-14-8-3-9-15-28-24(32)22-23(30-18-29-22)25(33)31-21(16-19-10-4-1-5-11-19)26(34)35-17-20-12-6-2-7-13-20/h1-2,4-7,10-13,18,21H,3,8-9,14-17,27H2,(H,28,32)(H,29,30)(H,31,33)/t21-/m0/s1