[azanyl-[4-[diphenoxyphosphoryl-[[(2S)-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]methyl]phenyl]methylidene]azanium chloride

Systemtic Name: [azanyl-[4-[diphenoxyphosphoryl-[[(2S)-1-[2-[(phenylmethyl)sulfonylamino]ethanoyl]pyrrolidin-2-yl]carbonylamino]methyl]phenyl]methylidene]azanium chloride Openeye Name: [amino-[4-[[[(2S)-1-[2-(benzylsulfonylamino)acetyl]pyrrolidine-2-carbonyl]amino]-diphenoxyphosphoryl-methyl]phenyl]methylene]ammonium chloride CAS Name: [amino-[4-[diphenoxyphosphoryl-[[oxo-[(2S)-1-[1-oxo-2-[(phenylmethyl)sulfonylamino]ethyl]-2-pyrrolidinyl]methyl]amino]methyl]phenyl]methylidene]ammonium chloride IUPAC Name: [amino-[4-[[[(2S)-1-[2-(benzylsulfonylamino)acetyl]pyrrolidine-2-carbonyl]amino]-diphenoxyphosphorylmethyl]phenyl]methylidene]azanium chloride Traditional Name: [amino-[4-[[[(2S)-1-[2-(benzylsulfonylamino)acetyl]prolyl]amino]-diphenoxyphosphoryl-methyl]phenyl]methylene]ammonium chloride Formula: C34H37ClN5O7PS MolecularWeight: 726.178641

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNS(=O)(=O)CC2=CC=CC=C2)C(=O)NC(C3=CC=C(C=C3)C(=[NH2+])N)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5.[Cl-]

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNS(=O)(=O)CC2=CC=CC=C2)C(=O)NC(C3=CC=C(C=C3)C(=[NH2+])N)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5.[Cl-]

InChI

InChI=1S/C34H36N5O7PS.ClH/c35-32(36)26-18-20-27(21-19-26)34(47(42,45-28-13-6-2-7-14-28)46-29-15-8-3-9-16-29)38-33(41)30-17-10-22-39(30)31(40)23-37-48(43,44)24-25-11-4-1-5-12-25;/h1-9,11-16,18-21,30,34,37H,10,17,22-24H2,(H3,35,36)(H,38,41);1H/t30-,34?;/m0./s1