(phenylmethyl) (2S)-2-[5-[bis(azanyl)methylideneamino]pentanoylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) (2S)-2-[5-[bis(azanyl)methylideneamino]pentanoylamino]-3-phenyl-propanoate Openeye Name: benzyl (2S)-2-(5-guanidinopentanoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[5-(diaminomethylideneamino)pentanoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-(5-guanidinopentanoylamino)-3-phenyl-propionic acid benzyl ester Formula: C22H28N4O3 MolecularWeight: 396.48272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCC2=CC=CC=C2)NC(=O)CCCCN=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)OCC2=CC=CC=C2)NC(=O)CCCCN=C(N)N

InChI

InChI=1S/C22H28N4O3/c23-22(24)25-14-8-7-13-20(27)26-19(15-17-9-3-1-4-10-17)21(28)29-16-18-11-5-2-6-12-18/h1-6,9-12,19H,7-8,13-16H2,(H,26,27)(H4,23,24,25)/t19-/m0/s1