5-[methyl(methylsulfonyl)amino]-N3-[(2S)-1-[[(2S)-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)propan-2-yl]amino]-3-thiophen-3-yl-propan-2-yl]-N1-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide

Systemtic Name: 5-[methyl(methylsulfonyl)amino]-N3-[(2S)-1-[[(2S)-1-oxidanylidene-1-(1,3-thiazol-2-ylamino)propan-2-yl]amino]-3-thiophen-3-yl-propan-2-yl]-N1-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide Openeye Name: 5-[methyl(methylsulfonyl)amino]-N3-[(1S)-1-[[[(1S)-1-methyl-2-oxo-2-(thiazol-2-ylamino)ethyl]amino]methyl]-2-(3-thienyl)ethyl]-N1-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide CAS Name: 5-[methyl(methylsulfonyl)amino]-N3-[(2S)-1-[[(2S)-1-oxo-1-(2-thiazolylamino)propan-2-yl]amino]-3-(3-thiophenyl)propan-2-yl]-N1-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide IUPAC Name: 5-[methyl(methylsulfonyl)amino]-3-N-[(2S)-1-[[(2S)-1-oxo-1-(1,3-thiazol-2-ylamino)propan-2-yl]amino]-3-thiophen-3-ylpropan-2-yl]-1-N-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide Traditional Name: N'-[(1S)-1-[[[(1S)-2-keto-1-methyl-2-(thiazol-2-ylamino)ethyl]amino]methyl]-2-(3-thienyl)ethyl]-5-[mesyl(methyl)amino]-N-[(1R)-1-phenylethyl]isophthalamide Formula: C31H36N6O5S3 MolecularWeight: 668.84974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)N(C)S(=O)(=O)C)C(=O)NC(CC3=CSC=C3)CNC(C)C(=O)NC4=NC=CS4

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)N(C)S(=O)(=O)C)C(=O)N[C@@H](CC3=CSC=C3)CN[C@@H](C)C(=O)NC4=NC=CS4

InChI

InChI=1S/C31H36N6O5S3/c1-20(23-8-6-5-7-9-23)34-29(39)24-15-25(17-27(16-24)37(3)45(4,41)42)30(40)35-26(14-22-10-12-43-19-22)18-33-21(2)28(38)36-31-32-11-13-44-31/h5-13,15-17,19-21,26,33H,14,18H2,1-4H3,(H,34,39)(H,35,40)(H,32,36,38)/t20-,21+,26+/m1/s1