(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-4-carboxy-2-[[(2S)-2-(3-carboxypropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanoyl]amino]propanoyl]amino]-3-cyclohexyl-propanoyl]amino]pentanedioic acid
Molecular Formula:
C61H88N10O23
InChI: InChI=1/C61H88N10O23/c1-4-32(2)51(69-58(90)44-13-8-28-70(44)59(91)39(20-25-48(78)79)66-55(87)41(63-45(73)22-27-50(82)83)31-35-14-16-36(72)17-15-35)60(92)71-29-9-12-43(71)57(89)65-38(19-24-47(76)77)54(86)64-37(18-23-46(74)75)53(85)62-33(3)52(84)68-42(30-34-10-6-5-7-11-34)56(88)67-40(61(93)94)21-26-49(80)81/h14-17,32-34,37-44,51,72H,4-13,18-31H2,1-3H3,(H,62,85)(H,63,73)(H,64,86)(H,65,89)(H,66,87)(H,67,88)(H,68,84)(H,69,90)(H,74,75)(H,76,77)(H,78,79)(H,80,81)(H,82,83)(H,93,94)/t32-,33-,37-,38-,39-,40+,41-,42-,43-,44-,51-/m0/s1/f/h62-69,74,76,78,80,82,93H
InChIKey: InChIKey=LCKYRQRGZIOXSQ-XELNMPAHDO
SMILES: CCC(C)C(C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC2CCCCC2)C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C3CCCN3C(=O)C(CCC(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)CCC(=O)O
Names:
(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-1-[(2S,3S)-2-[[(2S)-1-[(2S)-4-carboxy-2-[[(2S)-2-(3-carboxypropanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-pentanoyl]pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanoyl]amino]propanoyl]amino]-3-cyclohexyl-propanoyl]amino]pentanedioic acid
Registries:
PubChem CID 164273
PubChem ID 10255418
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