(1s,2s)-2-[[(3s)-7-amino-3-[[(1r)-1-[[(1s,2s)-2-[[(3s)-7-amino-3-[[(1r)-1-[[(1s,2s)-2-[[(3s)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]cyclohexanecarbonyl]amino]propyl]carbamoylamino]heptanoyl]amino]cyclohexanecarbonyl]amino]propyl]carbamoylamino]heptanoyl]amino]-n-[(1r)-1-[[(3s)-1,7-diamino-1-oxoheptan-3-yl]carbamoylamino]propyl]cyclohexane-1-carboxamide

Structural Information

Molecular Formula

C₆₄H₁₁₃N₁₇O₁₁

SMILES

CC[C@H](NC(=O)[C@H]1CCCC[C@@H]1NC(=O)C[C@H](CCCCN)NC(=O)N[C@H](CC)NC(=O)[C@H]2CCCC[C@@H]2NC(=O)C[C@H](CCCCN)NC(=O)N[C@H](CC)NC(=O)[C@H]3CCCC[C@@H]3NC(=O)C[C@H](CC4=CC=C(C=C4)O)N)NC(=O)N[C@@H](CCCCN)CC(=O)N

InChI

InChI=1S/C64H113N17O11/c1-4-53(79-62(90)70-42(37-52(69)83)19-13-16-32-65)76-60(88)47-23-8-11-26-50(47)74-57(85)39-44(21-15-18-34-67)72-64(92)81-55(6-3)78-61(89)48-24-9-12-27-51(48)75-58(86)38-43(20-14-17-33-66)71-63(91)80-54(5-2)77-59(87)46-22-7-10-25-49(46)73-56(84)36-41(68)35-40-28-30-45(82)31-29-40/h28-31,41-44,46-51,53-55,82H,4-27,32-39,65-68H2,1-3H3,(H2,69,83)(H,73,84)(H,74,85)(H,75,86)(H,76,88)(H,77,87)(H,78,89)(H2,70,79,90)(H2,71,80,91)(H2,72,81,92)/t41-,42-,43-,44-,46-,47-,48-,49-,50-,51-,53+,54+,55+/m0/s1

InChIKey

WMKSMPDXVGYVLC-OYHPYDSSSA-N

Compound name

(1S,2S)-2-[[(3S)-7-amino-3-[[(1R)-1-[[(1S,2S)-2-[[(3S)-7-amino-3-[[(1R)-1-[[(1S,2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]cyclohexanecarbonyl]amino]propyl]carbamoylamino]heptanoyl]amino]cyclohexanecarbonyl]amino]propyl]carbamoylamino]heptanoyl]amino]-N-[(1R)-1-[[(3S)-1,7-diamino-1-oxoheptan-3-yl]carbamoylamino]propyl]cyclohexane-1-carboxamide

Related CIDs

• CID 129901059