3-[[4,6-bis(azanyl)-5-oxidanylidene-7-phenyl-heptyl]carbamoyl]oxirane-2-carboxylic acid

Systemtic Name: 3-[[4,6-bis(azanyl)-5-oxidanylidene-7-phenyl-heptyl]carbamoyl]oxirane-2-carboxylic acid Openeye Name: 3-[(4,6-diamino-5-oxo-7-phenyl-heptyl)carbamoyl]oxirane-2-carboxylic acid CAS Name: 3-[[(4,6-diamino-5-oxo-7-phenylheptyl)amino]-oxomethyl]-2-oxiranecarboxylic acid IUPAC Name: 3-[(4,6-diamino-5-oxo-7-phenylheptyl)carbamoyl]oxirane-2-carboxylic acid Traditional Name: 3-[(4,6-diamino-5-keto-7-phenyl-heptyl)carbamoyl]oxirane-2-carboxylic acid Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)C(CCCNC(=O)C2C(O2)C(=O)O)N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)C(CCCNC(=O)C2C(O2)C(=O)O)N)N

InChI

InChI=1S/C17H23N3O5/c18-11(13(21)12(19)9-10-5-2-1-3-6-10)7-4-8-20-16(22)14-15(25-14)17(23)24/h1-3,5-6,11-12,14-15H,4,7-9,18-19H2,(H,20,22)(H,23,24)