Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5KJ1C
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| Ligand Name |
(2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{S})-2-[[(2~{R})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-3-sulfo-propanoyl]amino]-3-sulfo-propanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid
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| Synonyms |
(2~{S})-2-[[(2~{S})-6-[[(2~{S})-2-[[4-[[[(2~{S})-2-[[(2~{R})-2-[(6-fluoranylpyridin-3-yl)carbonylamino]-3-sulfo-propanoyl]amino]-3-sulfo-propanoyl]amino]methyl]phenyl]carbonylamino]-3-naphthalen-2-yl-propanoyl]amino]-1-oxidanyl-1-oxidanylidene-hexan-2-yl]carbamoylamino]pentanedioic acid; 9LZ
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| Structure |
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Download2D MOL
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| Formula |
C45H51FN8O18S2
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| Canonical SMILES |
C1=CC=C2C=C(C=CC2=C1)CC(C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C3=CC=C(C=C3)CNC(=O)C(CS(=O)(=O)O)NC(=O)C(CS(=O)(=O)O)NC(=O)C4=CN=C(C=C4)F
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| InChI |
1S/C45H51FN8O18S2/c46-36-16-14-30(22-48-36)39(58)51-35(24-74(70,71)72)42(61)52-34(23-73(67,68)69)41(60)49-21-25-8-12-28(13-9-25)38(57)50-33(20-26-10-11-27-5-1-2-6-29(27)19-26)40(59)47-18-4-3-7-31(43(62)63)53-45(66)54-32(44(64)65)15-17-37(55)56/h1-2,5-6,8-14,16,19,22,31-35H,3-4,7,15,17-18,20-21,23-24H2,(H,47,59)(H,49,60)(H,50,57)(H,51,58)(H,52,61)(H,55,56)(H,62,63)(H,64,65)(H2,53,54,66)(H,67,68,69)(H,70,71,72)/t31-,32-,33-,34+,35-/m0/s1
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| InChIKey |
FRBOTEDIQNCFCM-ISWDJSIVSA-N
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| PubChem Compound ID | ||||
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