[2-azanyl-5-[[4,4-bis(diethoxyphosphoryl)-1-ethoxy-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoyl] benzoate

Systemtic Name: [2-azanyl-5-[[4,4-bis(diethoxyphosphoryl)-1-ethoxy-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoyl] benzoate Openeye Name: [2-amino-5-[[3,3-bis(diethoxyphosphoryl)-1-ethoxycarbonyl-propyl]amino]-5-oxo-pentanoyl] benzoate CAS Name: benzoic acid [2-amino-5-[[4,4-bis(diethoxyphosphoryl)-1-ethoxy-1-oxobutan-2-yl]amino]-1,5-dioxopentyl] ester IUPAC Name: [2-amino-5-[[4,4-bis(diethoxyphosphoryl)-1-ethoxy-1-oxobutan-2-yl]amino]-5-oxopentanoyl] benzoate Traditional Name: benzoic acid [2-amino-5-[[1-carbethoxy-3,3-bis(diethoxyphosphoryl)propyl]amino]-5-keto-pentanoyl] ester Formula: C26H42N2O12P2 MolecularWeight: 636.565402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(P(=O)(OCC)OCC)P(=O)(OCC)OCC)NC(=O)CCC(C(=O)OC(=O)C1=CC=CC=C1)N

Isomeric SMILES

CCOC(=O)C(CC(P(=O)(OCC)OCC)P(=O)(OCC)OCC)NC(=O)CCC(C(=O)OC(=O)C1=CC=CC=C1)N

InChI

InChI=1S/C26H42N2O12P2/c1-6-35-26(32)21(18-23(41(33,36-7-2)37-8-3)42(34,38-9-4)39-10-5)28-22(29)17-16-20(27)25(31)40-24(30)19-14-12-11-13-15-19/h11-15,20-21,23H,6-10,16-18,27H2,1-5H3,(H,28,29)