methyl (2S)-5-[bis(azanyl)methylideneamino]-2-[(4-phenyldiazenylphenyl)carbonylamino]pentanoate

Systemtic Name: methyl (2S)-5-[bis(azanyl)methylideneamino]-2-[(4-phenyldiazenylphenyl)carbonylamino]pentanoate Openeye Name: methyl (2S)-5-guanidino-2-[(4-phenylazobenzoyl)amino]pentanoate CAS Name: (2S)-5-(diaminomethylideneamino)-2-[[oxo-(4-phenyldiazenylphenyl)methyl]amino]pentanoic acid methyl ester IUPAC Name: methyl (2S)-5-(diaminomethylideneamino)-2-[(4-phenyldiazenylbenzoyl)amino]pentanoate Traditional Name: (2S)-5-guanidino-2-[(4-phenylazobenzoyl)amino]valeric acid methyl ester Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCN=C(N)N)NC(=O)C1=CC=C(C=C1)N=NC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCCN=C(N)N)NC(=O)C1=CC=C(C=C1)N=NC2=CC=CC=C2

InChI

InChI=1S/C20H24N6O3/c1-29-19(28)17(8-5-13-23-20(21)22)24-18(27)14-9-11-16(12-10-14)26-25-15-6-3-2-4-7-15/h2-4,6-7,9-12,17H,5,8,13H2,1H3,(H,24,27)(H4,21,22,23)/t17-/m0/s1