5-[bis(azanyl)methylideneamino]-2-[(4-methylphenyl)sulfonyl-phenylmethoxycarbonyl-amino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[(4-methylphenyl)sulfonyl-phenylmethoxycarbonyl-amino]pentanoic acid Openeye Name: 2-[benzyloxycarbonyl(p-tolylsulfonyl)amino]-5-guanidino-pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonyl-phenylmethoxycarbonylamino]pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-[(4-methylphenyl)sulfonyl-phenylmethoxycarbonylamino]pentanoic acid Traditional Name: 2-[carbobenzoxy(tosyl)amino]-5-guanidino-valeric acid Formula: C21H26N4O6S MolecularWeight: 462.51934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C(CCCN=C(N)N)C(=O)O)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C(CCCN=C(N)N)C(=O)O)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H26N4O6S/c1-15-9-11-17(12-10-15)32(29,30)25(18(19(26)27)8-5-13-24-20(22)23)21(28)31-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-14H2,1H3,(H,26,27)(H4,22,23,24)