(3R)-N-[(3S)-1-azanyl-3-methyl-1-sulfanylidene-pentan-2-yl]-6,8-bis(chloranyl)-3-[[(2S)-2-[2-(2-fluorophenyl)ethanoylamino]-4-(4-hydroxyphenyl)butanoyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide

Systemtic Name: (3R)-N-[(3S)-1-azanyl-3-methyl-1-sulfanylidene-pentan-2-yl]-6,8-bis(chloranyl)-3-[[(2S)-2-[2-(2-fluorophenyl)ethanoylamino]-4-(4-hydroxyphenyl)butanoyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide Openeye Name: (3R)-N-[(2S)-1-carbamothioyl-2-methyl-butyl]-6,8-dichloro-3-[[(2S)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide CAS Name: (3R)-N-[(3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-6,8-dichloro-3-[[(2S)-2-[[2-(2-fluorophenyl)-1-oxoethyl]amino]-4-(4-hydroxyphenyl)-1-oxobutyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide IUPAC Name: (3R)-N-[(3S)-1-amino-3-methyl-1-sulfanylidenepentan-2-yl]-6,8-dichloro-3-[[(2S)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide Traditional Name: (3R)-6,8-dichloro-3-[[(2S)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-(4-hydroxyphenyl)butanoyl]amino]-N-[(2S)-2-methyl-1-thiocarbamoyl-butyl]-1,2,4,9-tetrahydrocarbazole-3-carboxamide Formula: C37H40Cl2FN5O4S MolecularWeight: 740.714003

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=S)N)NC(=O)C1(CCC2=C(C1)C3=CC(=CC(=C3N2)Cl)Cl)NC(=O)C(CCC4=CC=C(C=C4)O)NC(=O)CC5=CC=CC=C5F

Isomeric SMILES

CC[C@H](C)C(C(=S)N)NC(=O)[C@]1(CCC2=C(C1)C3=CC(=CC(=C3N2)Cl)Cl)NC(=O)[C@H](CCC4=CC=C(C=C4)O)NC(=O)CC5=CC=CC=C5F

InChI

InChI=1S/C37H40Cl2FN5O4S/c1-3-20(2)32(34(41)50)44-36(49)37(15-14-29-26(19-37)25-17-23(38)18-27(39)33(25)43-29)45-35(48)30(13-10-21-8-11-24(46)12-9-21)42-31(47)16-22-6-4-5-7-28(22)40/h4-9,11-12,17-18,20,30,32,43,46H,3,10,13-16,19H2,1-2H3,(H2,41,50)(H,42,47)(H,44,49)(H,45,48)/t20-,30-,32?,37+/m0/s1