2-[3-[4-[[4-[bis(azanyl)methylideneamino]phenyl]carbonylamino]butyl]-4-[2-[[4-[bis(azanyl)methylideneamino]phenyl]carbonylamino]ethanoyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[4-[[4-[bis(azanyl)methylideneamino]phenyl]carbonylamino]butyl]-4-[2-[[4-[bis(azanyl)methylideneamino]phenyl]carbonylamino]ethanoyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-[(4-guanidinobenzoyl)amino]acetyl]-3-[4-[(4-guanidinobenzoyl)amino]butyl]-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[3-[4-[[[4-(diaminomethylideneamino)phenyl]-oxomethyl]amino]butyl]-4-[2-[[[4-(diaminomethylideneamino)phenyl]-oxomethyl]amino]-1-oxoethyl]-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-[[4-(diaminomethylideneamino)benzoyl]amino]acetyl]-3-[4-[[4-(diaminomethylideneamino)benzoyl]amino]butyl]-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(4-guanidinobenzoyl)amino]acetyl]-3-[4-[(4-guanidinobenzoyl)amino]butyl]-2-keto-piperazino]acetic acid Formula: C28H36N10O6 MolecularWeight: 608.64884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1CC(=O)O)CCCCNC(=O)C2=CC=C(C=C2)N=C(N)N)C(=O)CNC(=O)C3=CC=C(C=C3)N=C(N)N

Isomeric SMILES

C1CN(C(C(=O)N1CC(=O)O)CCCCNC(=O)C2=CC=C(C=C2)N=C(N)N)C(=O)CNC(=O)C3=CC=C(C=C3)N=C(N)N

InChI

InChI=1S/C28H36N10O6/c29-27(30)35-19-8-4-17(5-9-19)24(42)33-12-2-1-3-21-26(44)37(16-23(40)41)13-14-38(21)22(39)15-34-25(43)18-6-10-20(11-7-18)36-28(31)32/h4-11,21H,1-3,12-16H2,(H,33,42)(H,34,43)(H,40,41)(H4,29,30,35)(H4,31,32,36)