N3-[(2S)-1-[[(2S)-1-(cyclopentylmethylamino)-1-oxidanylidene-propan-2-yl]amino]-3-phenyl-propan-2-yl]-5-[methyl(methylsulfonyl)amino]-N1-(1-thiophen-3-ylethyl)benzene-1,3-dicarboxamide

Systemtic Name: N3-[(2S)-1-[[(2S)-1-(cyclopentylmethylamino)-1-oxidanylidene-propan-2-yl]amino]-3-phenyl-propan-2-yl]-5-[methyl(methylsulfonyl)amino]-N1-(1-thiophen-3-ylethyl)benzene-1,3-dicarboxamide Openeye Name: N3-[(1S)-1-benzyl-2-[[(1S)-2-(cyclopentylmethylamino)-1-methyl-2-oxo-ethyl]amino]ethyl]-5-[methyl(methylsulfonyl)amino]-N1-[1-(3-thienyl)ethyl]benzene-1,3-dicarboxamide CAS Name: N3-[(2S)-1-[[(2S)-1-(cyclopentylmethylamino)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-N1-[1-(3-thiophenyl)ethyl]benzene-1,3-dicarboxamide IUPAC Name: 3-N-[(2S)-1-[[(2S)-1-(cyclopentylmethylamino)-1-oxopropan-2-yl]amino]-3-phenylpropan-2-yl]-5-[methyl(methylsulfonyl)amino]-1-N-(1-thiophen-3-ylethyl)benzene-1,3-dicarboxamide Traditional Name: N'-[(1S)-1-benzyl-2-[[(1S)-2-(cyclopentylmethylamino)-2-keto-1-methyl-ethyl]amino]ethyl]-5-[mesyl(methyl)amino]-N-[1-(3-thienyl)ethyl]isophthalamide Formula: C34H45N5O5S2 MolecularWeight: 667.8816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CSC=C1)NC(=O)C2=CC(=CC(=C2)N(C)S(=O)(=O)C)C(=O)NC(CC3=CC=CC=C3)CNC(C)C(=O)NCC4CCCC4

Isomeric SMILES

C[C@@H](C(=O)NCC1CCCC1)NC[C@H](CC2=CC=CC=C2)NC(=O)C3=CC(=CC(=C3)C(=O)NC(C)C4=CSC=C4)N(C)S(=O)(=O)C

InChI

InChI=1S/C34H45N5O5S2/c1-23(27-14-15-45-22-27)37-33(41)28-17-29(19-31(18-28)39(3)46(4,43)44)34(42)38-30(16-25-10-6-5-7-11-25)21-35-24(2)32(40)36-20-26-12-8-9-13-26/h5-7,10-11,14-15,17-19,22-24,26,30,35H,8-9,12-13,16,20-21H2,1-4H3,(H,36,40)(H,37,41)(H,38,42)/t23?,24-,30-/m0/s1