2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-5-[bis(azanyl)methylideneamino]-N-(4-nitrophenyl)pentanamide

Systemtic Name: 2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-5-[bis(azanyl)methylideneamino]-N-(4-nitrophenyl)pentanamide Openeye Name: 2-[(2-amino-3-hydroxy-propanoyl)amino]-5-guanidino-N-(4-nitrophenyl)pentanamide CAS Name: 2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide IUPAC Name: 2-[(2-amino-3-hydroxypropanoyl)amino]-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide Traditional Name: 2-[(2-amino-3-hydroxy-propanoyl)amino]-5-guanidino-N-(4-nitrophenyl)valeramide Formula: C15H23N7O5 MolecularWeight: 381.38702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C(CCCN=C(N)N)NC(=O)C(CO)N)[N+](=O)[O-]

InChI

InChI=1S/C15H23N7O5/c16-11(8-23)13(24)21-12(2-1-7-19-15(17)18)14(25)20-9-3-5-10(6-4-9)22(26)27/h3-6,11-12,23H,1-2,7-8,16H2,(H,20,25)(H,21,24)(H4,17,18,19)