(phenylmethyl) 2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-butyl-amino]ethanoate

Systemtic Name: (phenylmethyl) 2-[[2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-butyl-amino]ethanoate Openeye Name: benzyl 2-[(2-amino-5-guanidino-pentanoyl)-butyl-amino]acetate CAS Name: 2-[[2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-butylamino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]-butylamino]acetate Traditional Name: 2-[(2-amino-5-guanidino-pentanoyl)-butyl-amino]acetic acid benzyl ester Formula: C19H31N5O3 MolecularWeight: 377.48114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC(=O)OCC1=CC=CC=C1)C(=O)C(CCCN=C(N)N)N

Isomeric SMILES

CCCCN(CC(=O)OCC1=CC=CC=C1)C(=O)C(CCCN=C(N)N)N

InChI

InChI=1S/C19H31N5O3/c1-2-3-12-24(18(26)16(20)10-7-11-23-19(21)22)13-17(25)27-14-15-8-5-4-6-9-15/h4-6,8-9,16H,2-3,7,10-14,20H2,1H3,(H4,21,22,23)