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

Systemtic Name: (3R)-N-[(3S)-1-azanyl-3-methyl-1-oxidanylidene-pentan-2-yl]-6,8-bis(chloranyl)-3-[[(2S)-2-[3-(2-fluorophenyl)propanoylamino]-4-(4-hydroxyphenyl)butanoyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide Openeye Name: (3R)-N-[(2S)-1-carbamoyl-2-methyl-butyl]-6,8-dichloro-3-[[(2S)-2-[3-(2-fluorophenyl)propanoylamino]-4-(4-hydroxyphenyl)butanoyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide CAS Name: (3R)-N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-6,8-dichloro-3-[[(2S)-2-[[3-(2-fluorophenyl)-1-oxopropyl]amino]-4-(4-hydroxyphenyl)-1-oxobutyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide IUPAC Name: (3R)-N-[(3S)-1-amino-3-methyl-1-oxopentan-2-yl]-6,8-dichloro-3-[[(2S)-2-[3-(2-fluorophenyl)propanoylamino]-4-(4-hydroxyphenyl)butanoyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide Traditional Name: (3R)-N-[(2S)-1-carbamoyl-2-methyl-butyl]-6,8-dichloro-3-[[(2S)-2-[3-(2-fluorophenyl)propanoylamino]-4-(4-hydroxyphenyl)butanoyl]amino]-1,2,4,9-tetrahydrocarbazole-3-carboxamide Formula: C38H42Cl2FN5O5 MolecularWeight: 738.674983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N)NC(=O)C1(CCC2=C(C1)C3=CC(=CC(=C3N2)Cl)Cl)NC(=O)C(CCC4=CC=C(C=C4)O)NC(=O)CCC5=CC=CC=C5F

Isomeric SMILES

CC[C@H](C)C(C(=O)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)CCC5=CC=CC=C5F

InChI

InChI=1S/C38H42Cl2FN5O5/c1-3-21(2)33(35(42)49)45-37(51)38(17-16-30-27(20-38)26-18-24(39)19-28(40)34(26)44-30)46-36(50)31(14-10-22-8-12-25(47)13-9-22)43-32(48)15-11-23-6-4-5-7-29(23)41/h4-9,12-13,18-19,21,31,33,44,47H,3,10-11,14-17,20H2,1-2H3,(H2,42,49)(H,43,48)(H,45,51)(H,46,50)/t21-,31-,33?,38+/m0/s1