3-[3-(aminocarbonylamino)phenyl]carbonyl-2,3-bis(azanyl)-2-ethanoyl-pent-4-ynoic acid

Systemtic Name: 3-[3-(aminocarbonylamino)phenyl]carbonyl-2,3-bis(azanyl)-2-ethanoyl-pent-4-ynoic acid Openeye Name: 2-acetyl-2,3-diamino-3-(3-ureidobenzoyl)pent-4-ynoic acid CAS Name: 2-acetyl-2,3-diamino-3-[[3-(carbamoylamino)phenyl]-oxomethyl]-4-pentynoic acid IUPAC Name: 2-acetyl-2,3-diamino-3-[3-(carbamoylamino)benzoyl]pent-4-ynoic acid Traditional Name: 2-acetyl-2,3-diamino-3-(3-ureidobenzoyl)pent-4-ynoic acid Formula: C15H16N4O5 MolecularWeight: 332.31134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)O)(C(C#C)(C(=O)C1=CC(=CC=C1)NC(=O)N)N)N

Isomeric SMILES

CC(=O)C(C(=O)O)(C(C#C)(C(=O)C1=CC(=CC=C1)NC(=O)N)N)N

InChI

InChI=1S/C15H16N4O5/c1-3-14(17,15(18,8(2)20)12(22)23)11(21)9-5-4-6-10(7-9)19-13(16)24/h1,4-7H,17-18H2,2H3,(H,22,23)(H3,16,19,24)