[2-[[3-(aminocarbonylamino)phenyl]carbonylamino]-3-methyl-pentanoyl]-oxidanylidene-(1-oxidanyl-5-phenyl-pentan-3-yl)azanium

Systemtic Name: [2-[[3-(aminocarbonylamino)phenyl]carbonylamino]-3-methyl-pentanoyl]-oxidanylidene-(1-oxidanyl-5-phenyl-pentan-3-yl)azanium Openeye Name: [1-(2-hydroxyethyl)-3-phenyl-propyl]-[3-methyl-2-[(3-ureidobenzoyl)amino]pentanoyl]-oxo-ammonium CAS Name: [2-[[[3-(carbamoylamino)phenyl]-oxomethyl]amino]-3-methyl-1-oxopentyl]-(1-hydroxy-5-phenylpentan-3-yl)-oxoammonium IUPAC Name: [2-[[3-(carbamoylamino)benzoyl]amino]-3-methylpentanoyl]-(1-hydroxy-5-phenylpentan-3-yl)-oxoazanium Traditional Name: [1-(2-hydroxyethyl)-3-phenyl-propyl]-keto-[3-methyl-2-[(3-ureidobenzoyl)amino]pentanoyl]ammonium Formula: C25H33N4O5+ MolecularWeight: 469.55332

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[N+](=O)C(CCC1=CC=CC=C1)CCO)NC(=O)C2=CC(=CC=C2)NC(=O)N

Isomeric SMILES

CCC(C)C(C(=O)[N+](=O)C(CCC1=CC=CC=C1)CCO)NC(=O)C2=CC(=CC=C2)NC(=O)N

InChI

InChI=1S/C25H32N4O5/c1-3-17(2)22(28-23(31)19-10-7-11-20(16-19)27-25(26)33)24(32)29(34)21(14-15-30)13-12-18-8-5-4-6-9-18/h4-11,16-17,21-22,30H,3,12-15H2,1-2H3,(H3-,26,27,28,31,33)/p+1