ethoxy-N-[3-[(1S)-1-[2-[4-[[ethoxy(oxidanyl)phosphoryl]amino]phenyl]ethanoyl-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenyl]phosphonamidic acid hydrochloride

Systemtic Name: ethoxy-N-[3-[(1S)-1-[2-[4-[[ethoxy(oxidanyl)phosphoryl]amino]phenyl]ethanoyl-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenyl]phosphonamidic acid hydrochloride Openeye Name: ethoxy-N-[3-[(1S)-1-[[2-[4-[[ethoxy(hydroxy)phosphoryl]amino]phenyl]acetyl]-methyl-amino]-2-pyrrolidin-1-yl-ethyl]phenyl]phosphonamidic acid hydrochloride CAS Name: ethoxy-N-[3-[(1S)-1-[[2-[4-[[ethoxy(hydroxy)phosphoryl]amino]phenyl]-1-oxoethyl]-methylamino]-2-(1-pyrrolidinyl)ethyl]phenyl]phosphonamidic acid hydrochloride IUPAC Name: ethoxy-N-[3-[(1S)-1-[[2-[4-[[ethoxy(hydroxy)phosphoryl]amino]phenyl]acetyl]-methylamino]-2-pyrrolidin-1-ylethyl]phenyl]phosphonamidic acid hydrochloride Traditional Name: ethoxy-N-[3-[(1S)-1-[[2-[4-[[ethoxy(hydroxy)phosphoryl]amino]phenyl]acetyl]-methyl-amino]-2-pyrrolidino-ethyl]phenyl]phosphonamidic acid hydrochloride Formula: C25H39ClN4O7P2 MolecularWeight: 605.000282

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(NC1=CC=C(C=C1)CC(=O)N(C)C(CN2CCCC2)C3=CC(=CC=C3)NP(=O)(O)OCC)O.Cl

Isomeric SMILES

CCOP(=O)(NC1=CC=C(C=C1)CC(=O)N(C)[C@H](CN2CCCC2)C3=CC(=CC=C3)NP(=O)(O)OCC)O.Cl

InChI

InChI=1S/C25H38N4O7P2.ClH/c1-4-35-37(31,32)26-22-13-11-20(12-14-22)17-25(30)28(3)24(19-29-15-6-7-16-29)21-9-8-10-23(18-21)27-38(33,34)36-5-2;/h8-14,18,24H,4-7,15-17,19H2,1-3H3,(H2,26,31,32)(H2,27,33,34);1H/t24-;/m1./s1