(phenylmethyl) 4,4-bis[9-[bis(azanyl)methylideneamino]nonanoylamino]butanoate

Systemtic Name: (phenylmethyl) 4,4-bis[9-[bis(azanyl)methylideneamino]nonanoylamino]butanoate Openeye Name: benzyl 4,4-bis(9-guanidinononanoylamino)butanoate CAS Name: 4,4-bis[[9-(diaminomethylideneamino)-1-oxononyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4,4-bis[9-(diaminomethylideneamino)nonanoylamino]butanoate Traditional Name: 4,4-bis(9-guanidinononanoylamino)butyric acid benzyl ester Formula: C31H54N8O4 MolecularWeight: 602.81166

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CCC(NC(=O)CCCCCCCCN=C(N)N)NC(=O)CCCCCCCCN=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)CCC(NC(=O)CCCCCCCCN=C(N)N)NC(=O)CCCCCCCCN=C(N)N

InChI

InChI=1S/C31H54N8O4/c32-30(33)36-22-14-7-3-1-5-12-18-27(40)38-26(20-21-29(42)43-24-25-16-10-9-11-17-25)39-28(41)19-13-6-2-4-8-15-23-37-31(34)35/h9-11,16-17,26H,1-8,12-15,18-24H2,(H,38,40)(H,39,41)(H4,32,33,36)(H4,34,35,37)