5-[bis(azanyl)methylideneamino]-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[(4-bromanyl-1H-pyrrol-2-yl)carbonylamino]pentanoic acid Openeye Name: 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-5-guanidino-pentanoic acid CAS Name: 2-[[(4-bromo-1H-pyrrol-2-yl)-oxomethyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[(4-bromo-1H-pyrrole-2-carbonyl)amino]-5-guanidino-valeric acid Formula: C11H16BrN5O3 MolecularWeight: 346.18044

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC=C1Br)C(=O)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C1=C(NC=C1Br)C(=O)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C11H16BrN5O3/c12-6-4-8(16-5-6)9(18)17-7(10(19)20)2-1-3-15-11(13)14/h4-5,7,16H,1-3H2,(H,17,18)(H,19,20)(H4,13,14,15)