2-[4-[2-[[4-[bis(azanyl)methylideneamino]phenyl]carbonylamino]-3-(4-methoxyphenyl)propanoyl]-3-[3-[[4-[bis(azanyl)methylideneamino]phenyl]carbonylamino]propyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-[[4-[bis(azanyl)methylideneamino]phenyl]carbonylamino]-3-(4-methoxyphenyl)propanoyl]-3-[3-[[4-[bis(azanyl)methylideneamino]phenyl]carbonylamino]propyl]-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-[(4-guanidinobenzoyl)amino]-3-(4-methoxyphenyl)propanoyl]-3-[3-[(4-guanidinobenzoyl)amino]propyl]-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[[[4-(diaminomethylideneamino)phenyl]-oxomethyl]amino]-3-(4-methoxyphenyl)-1-oxopropyl]-3-[3-[[[4-(diaminomethylideneamino)phenyl]-oxomethyl]amino]propyl]-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-[[4-(diaminomethylideneamino)benzoyl]amino]-3-(4-methoxyphenyl)propanoyl]-3-[3-[[4-(diaminomethylideneamino)benzoyl]amino]propyl]-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(4-guanidinobenzoyl)amino]-3-(4-methoxyphenyl)propanoyl]-3-[3-[(4-guanidinobenzoyl)amino]propyl]-2-keto-piperazino]acetic acid Formula: C35H42N10O7 MolecularWeight: 714.77078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C(=O)N2CCN(C(=O)C2CCCNC(=O)C3=CC=C(C=C3)N=C(N)N)CC(=O)O)NC(=O)C4=CC=C(C=C4)N=C(N)N

Isomeric SMILES

COC1=CC=C(C=C1)CC(C(=O)N2CCN(C(=O)C2CCCNC(=O)C3=CC=C(C=C3)N=C(N)N)CC(=O)O)NC(=O)C4=CC=C(C=C4)N=C(N)N

InChI

InChI=1S/C35H42N10O7/c1-52-26-14-4-21(5-15-26)19-27(43-31(49)23-8-12-25(13-9-23)42-35(38)39)32(50)45-18-17-44(20-29(46)47)33(51)28(45)3-2-16-40-30(48)22-6-10-24(11-7-22)41-34(36)37/h4-15,27-28H,2-3,16-20H2,1H3,(H,40,48)(H,43,49)(H,46,47)(H4,36,37,41)(H4,38,39,42)