(phenylmethyl) (4S)-4-azanyl-5-[(4-carbamimidoylphenyl)methylamino]-5-oxidanylidene-pentanoate

Systemtic Name: (phenylmethyl) (4S)-4-azanyl-5-[(4-carbamimidoylphenyl)methylamino]-5-oxidanylidene-pentanoate Openeye Name: benzyl (4S)-4-amino-5-[(4-carbamimidoylphenyl)methylamino]-5-oxo-pentanoate CAS Name: (4S)-4-amino-5-[(4-carbamimidoylphenyl)methylamino]-5-oxopentanoic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-amino-5-[(4-carbamimidoylphenyl)methylamino]-5-oxopentanoate Traditional Name: (4S)-5-[(4-amidinobenzyl)amino]-4-amino-5-keto-valeric acid benzyl ester Formula: C20H24N4O3 MolecularWeight: 368.42956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(C(=O)NCC2=CC=C(C=C2)C(=N)N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CC[C@@H](C(=O)NCC2=CC=C(C=C2)C(=N)N)N

InChI

InChI=1S/C20H24N4O3/c21-17(10-11-18(25)27-13-15-4-2-1-3-5-15)20(26)24-12-14-6-8-16(9-7-14)19(22)23/h1-9,17H,10-13,21H2,(H3,22,23)(H,24,26)/t17-/m0/s1