2-azanyl-5-[bis(azanyl)methylideneamino]-2,3,3-tris(phenylmethoxycarbonyl)pentanoic acid

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]-2,3,3-tris(phenylmethoxycarbonyl)pentanoic acid Openeye Name: 2-amino-2,3,3-tris(benzyloxycarbonyl)-5-guanidino-pentanoic acid CAS Name: 2-amino-5-(diaminomethylideneamino)-2,3,3-tris(phenylmethoxycarbonyl)pentanoic acid IUPAC Name: 2-amino-5-(diaminomethylideneamino)-2,3,3-tris(phenylmethoxycarbonyl)pentanoic acid Traditional Name: 2-amino-2,3,3-tricarbobenzoxy-5-guanidino-valeric acid Formula: C30H32N4O8 MolecularWeight: 576.59708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCN=C(N)N)(C(=O)OCC2=CC=CC=C2)C(C(=O)O)(C(=O)OCC3=CC=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCN=C(N)N)(C(=O)OCC2=CC=CC=C2)C(C(=O)O)(C(=O)OCC3=CC=CC=C3)N

InChI

InChI=1S/C30H32N4O8/c31-28(32)34-17-16-29(25(37)40-18-21-10-4-1-5-11-21,26(38)41-19-22-12-6-2-7-13-22)30(33,24(35)36)27(39)42-20-23-14-8-3-9-15-23/h1-15H,16-20,33H2,(H,35,36)(H4,31,32,34)