(2S)-2-[[5-[(4-chlorophenyl)sulfonyl-methyl-amino]-2-(diethylamino)pyrimidin-4-yl]amino]-3-(4-pyrrolidin-1-ylcarbonyloxyphenyl)propanoic acid

Systemtic Name: (2S)-2-[[5-[(4-chlorophenyl)sulfonyl-methyl-amino]-2-(diethylamino)pyrimidin-4-yl]amino]-3-(4-pyrrolidin-1-ylcarbonyloxyphenyl)propanoic acid Openeye Name: (2S)-2-[[5-[(4-chlorophenyl)sulfonyl-methyl-amino]-2-(diethylamino)pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid CAS Name: (2S)-2-[[5-[(4-chlorophenyl)sulfonyl-methylamino]-2-(diethylamino)-4-pyrimidinyl]amino]-3-[4-[oxo(1-pyrrolidinyl)methoxy]phenyl]propanoic acid IUPAC Name: (2S)-2-[[5-[(4-chlorophenyl)sulfonyl-methylamino]-2-(diethylamino)pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propanoic acid Traditional Name: (2S)-2-[[5-[(4-chlorophenyl)sulfonyl-methyl-amino]-2-(diethylamino)pyrimidin-4-yl]amino]-3-[4-(pyrrolidine-1-carbonyloxy)phenyl]propionic acid Formula: C29H35ClN6O6S MolecularWeight: 631.1428

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC=C(C(=N1)NC(CC2=CC=C(C=C2)OC(=O)N3CCCC3)C(=O)O)N(C)S(=O)(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCN(CC)C1=NC=C(C(=N1)N[C@@H](CC2=CC=C(C=C2)OC(=O)N3CCCC3)C(=O)O)N(C)S(=O)(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C29H35ClN6O6S/c1-4-35(5-2)28-31-19-25(34(3)43(40,41)23-14-10-21(30)11-15-23)26(33-28)32-24(27(37)38)18-20-8-12-22(13-9-20)42-29(39)36-16-6-7-17-36/h8-15,19,24H,4-7,16-18H2,1-3H3,(H,37,38)(H,31,32,33)/t24-/m0/s1