2-[2-[[3-(aminomethyl)phenyl]carbonyl-[2,7-bis(azanyl)-5-[bis(azanyl)methylideneamino]-6-oxidanylidene-nonanoyl]amino]ethanoyl-methyl-amino]butanedioic acid

Systemtic Name: 2-[2-[[3-(aminomethyl)phenyl]carbonyl-[2,7-bis(azanyl)-5-[bis(azanyl)methylideneamino]-6-oxidanylidene-nonanoyl]amino]ethanoyl-methyl-amino]butanedioic acid Openeye Name: 2-[[2-[[3-(aminomethyl)benzoyl]-(2,7-diamino-5-guanidino-6-oxo-nonanoyl)amino]acetyl]-methyl-amino]butanedioic acid CAS Name: 2-[[2-[[[3-(aminomethyl)phenyl]-oxomethyl]-[2,7-diamino-5-(diaminomethylideneamino)-1,6-dioxononyl]amino]-1-oxoethyl]-methylamino]butanedioic acid IUPAC Name: 2-[[2-[[3-(aminomethyl)benzoyl]-[2,7-diamino-5-(diaminomethylideneamino)-6-oxononanoyl]amino]acetyl]-methylamino]butanedioic acid Traditional Name: 2-[[2-[[3-(aminomethyl)benzoyl]-(2,7-diamino-5-guanidino-6-keto-nonanoyl)amino]acetyl]-methyl-amino]succinic acid Formula: C25H38N8O8 MolecularWeight: 578.61802

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)C(CCC(C(=O)N(CC(=O)N(C)C(CC(=O)O)C(=O)O)C(=O)C1=CC(=CC=C1)CN)N)N=C(N)N)N

Isomeric SMILES

CCC(C(=O)C(CCC(C(=O)N(CC(=O)N(C)C(CC(=O)O)C(=O)O)C(=O)C1=CC(=CC=C1)CN)N)N=C(N)N)N

InChI

InChI=1S/C25H38N8O8/c1-3-15(27)21(37)17(31-25(29)30)8-7-16(28)23(39)33(22(38)14-6-4-5-13(9-14)11-26)12-19(34)32(2)18(24(40)41)10-20(35)36/h4-6,9,15-18H,3,7-8,10-12,26-28H2,1-2H3,(H,35,36)(H,40,41)(H4,29,30,31)