cyclopentyl (2S)-2-[[5-(4-chloranyl-3-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-3-phenyl-propanoate

Systemtic Name: cyclopentyl (2S)-2-[[5-(4-chloranyl-3-methylsulfonyl-phenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-3-phenyl-propanoate Openeye Name: cyclopentyl (2S)-2-[[5-(4-chloro-3-methylsulfonyl-phenyl)-4-methyl-thiazol-2-yl]carbamoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[[5-(4-chloro-3-methylsulfonylphenyl)-4-methyl-2-thiazolyl]amino]-oxomethyl]amino]-3-phenylpropanoic acid cyclopentyl ester IUPAC Name: cyclopentyl (2S)-2-[[5-(4-chloro-3-methylsulfonylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[[5-(4-chloro-3-mesyl-phenyl)-4-methyl-thiazol-2-yl]carbamoylamino]-3-phenyl-propionic acid cyclopentyl ester Formula: C26H28ClN3O5S2 MolecularWeight: 562.10062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)NC(=O)NC(CC2=CC=CC=C2)C(=O)OC3CCCC3)C4=CC(=C(C=C4)Cl)S(=O)(=O)C

Isomeric SMILES

CC1=C(SC(=N1)NC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC3CCCC3)C4=CC(=C(C=C4)Cl)S(=O)(=O)C

InChI

InChI=1S/C26H28ClN3O5S2/c1-16-23(18-12-13-20(27)22(15-18)37(2,33)34)36-26(28-16)30-25(32)29-21(14-17-8-4-3-5-9-17)24(31)35-19-10-6-7-11-19/h3-5,8-9,12-13,15,19,21H,6-7,10-11,14H2,1-2H3,(H2,28,29,30,32)/t21-/m0/s1