8-[bis(azanyl)methylideneamino]-4-oxidanylidene-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)octanoic acid

Systemtic Name: 8-[bis(azanyl)methylideneamino]-4-oxidanylidene-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)octanoic acid Openeye Name: 2-benzyl-5-(benzyloxycarbonylamino)-8-guanidino-4-oxo-octanoic acid CAS Name: 8-(diaminomethylideneamino)-4-oxo-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)octanoic acid IUPAC Name: 2-benzyl-8-(diaminomethylideneamino)-4-oxo-5-(phenylmethoxycarbonylamino)octanoic acid Traditional Name: 2-benzyl-5-(benzyloxycarbonylamino)-8-guanidino-4-keto-caprylic acid Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O5/c25-23(26)27-13-7-12-20(28-24(32)33-16-18-10-5-2-6-11-18)21(29)15-19(22(30)31)14-17-8-3-1-4-9-17/h1-6,8-11,19-20H,7,12-16H2,(H,28,32)(H,30,31)(H4,25,26,27)