2-azanyl-4-[5-[2-azanyl-3-[5-(4-carbamimidoylphenyl)pentanoyl]phenyl]pentanoyloxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 2-azanyl-4-[5-[2-azanyl-3-[5-(4-carbamimidoylphenyl)pentanoyl]phenyl]pentanoyloxy]-4-oxidanylidene-butanoic acid Openeye Name: 2-amino-4-[5-[2-amino-3-[5-(4-carbamimidoylphenyl)pentanoyl]phenyl]pentanoyloxy]-4-oxo-butanoic acid CAS Name: 2-amino-4-[5-[2-amino-3-[5-(4-carbamimidoylphenyl)-1-oxopentyl]phenyl]-1-oxopentoxy]-4-oxobutanoic acid IUPAC Name: 2-amino-4-[5-[2-amino-3-[5-(4-carbamimidoylphenyl)pentanoyl]phenyl]pentanoyloxy]-4-oxobutanoic acid Traditional Name: 4-[5-[3-[5-(4-amidinophenyl)pentanoyl]-2-amino-phenyl]pentanoyloxy]-2-amino-4-keto-butyric acid Formula: C27H34N4O6 MolecularWeight: 510.58206

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)CCCCC(=O)OC(=O)CC(C(=O)O)N)N)C(=O)CCCCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC(=C(C(=C1)CCCCC(=O)OC(=O)CC(C(=O)O)N)N)C(=O)CCCCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C27H34N4O6/c28-21(27(35)36)16-24(34)37-23(33)11-4-2-7-18-8-5-9-20(25(18)29)22(32)10-3-1-6-17-12-14-19(15-13-17)26(30)31/h5,8-9,12-15,21H,1-4,6-7,10-11,16,28-29H2,(H3,30,31)(H,35,36)