(4R,7S,10R)-10-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(3-fluorophenyl)methyl]-3,3-dimethyl-6,9-bis(oxidanylidene)-1,2-dithia-5,8-diazacycloundecane-4-carboxylic acid

Systemtic Name: (4R,7S,10R)-10-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(3-fluorophenyl)methyl]-3,3-dimethyl-6,9-bis(oxidanylidene)-1,2-dithia-5,8-diazacycloundecane-4-carboxylic acid Openeye Name: (4R,7S,10R)-10-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(3-fluorophenyl)methyl]-3,3-dimethyl-6,9-dioxo-1,2-dithia-5,8-diazacycloundecane-4-carboxylic acid CAS Name: (4R,7S,10R)-10-[[(2S)-2-amino-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-7-[(3-fluorophenyl)methyl]-3,3-dimethyl-6,9-dioxo-1,2-dithia-5,8-diazacycloundecane-4-carboxylic acid IUPAC Name: (4R,7S,10R)-10-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(3-fluorophenyl)methyl]-3,3-dimethyl-6,9-dioxo-1,2-dithia-5,8-diazacycloundecane-4-carboxylic acid Traditional Name: (4R,7S,10R)-10-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-7-(3-fluorobenzyl)-6,9-diketo-3,3-dimethyl-1,2-dithia-5,8-diazacycloundecane-4-carboxylic acid Formula: C26H31FN4O6S2 MolecularWeight: 578.675943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(NC(=O)C(NC(=O)C(CSS1)NC(=O)C(CC2=CC=C(C=C2)O)N)CC3=CC(=CC=C3)F)C(=O)O)C

Isomeric SMILES

CC1([C@H](NC(=O)[C@@H](NC(=O)[C@H](CSS1)NC(=O)[C@H](CC2=CC=C(C=C2)O)N)CC3=CC(=CC=C3)F)C(=O)O)C

InChI

InChI=1S/C26H31FN4O6S2/c1-26(2)21(25(36)37)31-23(34)19(12-15-4-3-5-16(27)10-15)29-24(35)20(13-38-39-26)30-22(33)18(28)11-14-6-8-17(32)9-7-14/h3-10,18-21,32H,11-13,28H2,1-2H3,(H,29,35)(H,30,33)(H,31,34)(H,36,37)/t18-,19-,20-,21+/m0/s1