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(4R,7S,10R)-10-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(3-hydroxyphenyl)methyl]-3,3-dimethyl-6,9-bis(oxidanylidene)-1,2-dithia-5,8-diazacycloundecane-4-carboxylic acid
(4R,7S,10R)-10-[[(2S)-2-azanyl-3-(4-hydroxyphenyl)propanoyl]amino]-7-[(3-hydroxyphenyl)methyl]-3,3-dimethyl-6,9-bis(oxidanylidene)-1,2-dithia-5,8-diazacycloundecane-4-carboxylic acid
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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)O)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)O)C(=O)O)C
InChI
InChI=1S/C26H32N4O7S2/c1-26(2)21(25(36)37)30-23(34)19(12-15-4-3-5-17(32)10-15)28-24(35)20(13-38-39-26)29-22(33)18(27)11-14-6-8-16(31)9-7-14/h3-10,18-21,31-32H,11-13,27H2,1-2H3,(H,28,35)(H,29,33)(H,30,34)(H,36,37)/t18-,19-,20-,21+/m0/s1
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