methyl (2S)-6-azanyl-2-[[5-[bis(azanyl)methylidenecarbamoyl]-1H-pyrrol-2-yl]carbonylamino]hexanoate

Systemtic Name: methyl (2S)-6-azanyl-2-[[5-[bis(azanyl)methylidenecarbamoyl]-1H-pyrrol-2-yl]carbonylamino]hexanoate Openeye Name: methyl (2S)-6-amino-2-[[5-(diaminomethylenecarbamoyl)-1H-pyrrole-2-carbonyl]amino]hexanoate CAS Name: (2S)-6-amino-2-[[[5-[(diaminomethylideneamino)-oxomethyl]-1H-pyrrol-2-yl]-oxomethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-6-amino-2-[[5-(diaminomethylidenecarbamoyl)-1H-pyrrole-2-carbonyl]amino]hexanoate Traditional Name: (2S)-6-amino-2-[[5-(diaminomethylenecarbamoyl)-1H-pyrrole-2-carbonyl]amino]hexanoic acid methyl ester Formula: C14H22N6O4 MolecularWeight: 338.36228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCN)NC(=O)C1=CC=C(N1)C(=O)N=C(N)N

Isomeric SMILES

COC(=O)[C@H](CCCCN)NC(=O)C1=CC=C(N1)C(=O)N=C(N)N

InChI

InChI=1S/C14H22N6O4/c1-24-13(23)10(4-2-3-7-15)19-11(21)8-5-6-9(18-8)12(22)20-14(16)17/h5-6,10,18H,2-4,7,15H2,1H3,(H,19,21)(H4,16,17,20,22)/t10-/m0/s1