(3R)-N-[(2S)-1-azanyl-3-cyclopropyl-1-sulfanylidene-propan-2-yl]-3-[[(2S)-2-[2-[2,6-bis(fluoranyl)phenyl]ethanoylamino]-3-methyl-pentanoyl]amino]-8-chloranyl-6-fluoranyl-1,2,4,9-tetrahydrocarbazole-3-carboxamide

Systemtic Name: (3R)-N-[(2S)-1-azanyl-3-cyclopropyl-1-sulfanylidene-propan-2-yl]-3-[[(2S)-2-[2-[2,6-bis(fluoranyl)phenyl]ethanoylamino]-3-methyl-pentanoyl]amino]-8-chloranyl-6-fluoranyl-1,2,4,9-tetrahydrocarbazole-3-carboxamide Openeye Name: (3R)-N-[(1S)-2-amino-1-(cyclopropylmethyl)-2-thioxo-ethyl]-8-chloro-3-[[(2S)-2-[[2-(2,6-difluorophenyl)acetyl]amino]-3-methyl-pentanoyl]amino]-6-fluoro-1,2,4,9-tetrahydrocarbazole-3-carboxamide CAS Name: (3R)-N-[(2S)-1-amino-3-cyclopropyl-1-sulfanylidenepropan-2-yl]-8-chloro-3-[[(2S)-2-[[2-(2,6-difluorophenyl)-1-oxoethyl]amino]-3-methyl-1-oxopentyl]amino]-6-fluoro-1,2,4,9-tetrahydrocarbazole-3-carboxamide IUPAC Name: (3R)-N-[(2S)-1-amino-3-cyclopropyl-1-sulfanylidenepropan-2-yl]-8-chloro-3-[[(2S)-2-[[2-(2,6-difluorophenyl)acetyl]amino]-3-methylpentanoyl]amino]-6-fluoro-1,2,4,9-tetrahydrocarbazole-3-carboxamide Traditional Name: (3R)-N-[(1S)-2-amino-1-(cyclopropylmethyl)-2-thioxo-ethyl]-8-chloro-3-[[(2S)-2-[[2-(2,6-difluorophenyl)acetyl]amino]-3-methyl-pentanoyl]amino]-6-fluoro-1,2,4,9-tetrahydrocarbazole-3-carboxamide Formula: C33H37ClF3N5O3S MolecularWeight: 676.19179

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1(CCC2=C(C1)C3=CC(=CC(=C3N2)Cl)F)C(=O)NC(CC4CC4)C(=S)N)NC(=O)CC5=C(C=CC=C5F)F

Isomeric SMILES

CCC(C)[C@@H](C(=O)N[C@@]1(CCC2=C(C1)C3=CC(=CC(=C3N2)Cl)F)C(=O)N[C@@H](CC4CC4)C(=S)N)NC(=O)CC5=C(C=CC=C5F)F

InChI

InChI=1S/C33H37ClF3N5O3S/c1-3-16(2)28(41-27(43)14-20-23(36)5-4-6-24(20)37)31(44)42-33(32(45)40-26(30(38)46)11-17-7-8-17)10-9-25-21(15-33)19-12-18(35)13-22(34)29(19)39-25/h4-6,12-13,16-17,26,28,39H,3,7-11,14-15H2,1-2H3,(H2,38,46)(H,40,45)(H,41,43)(H,42,44)/t16?,26-,28-,33+/m0/s1