(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]ethyl]carbamoylamino]heptanoyl]amino]cyclohexanecarbonyl]amino]ethyl]carbamoylamino]heptanoyl]amino]-n-[(1r)-1-[[(3s)-1,7-diamino-1-oxoheptan-3-yl]carbamoylamino]ethyl]cyclohexane-1-carboxamide

Structural Information

Molecular Formula

C₆₁H₁₀₇N₁₇O₁₁

SMILES

C[C@H](NC(=O)[C@H]1CCCC[C@@H]1NC(=O)C[C@H](CCCCN)NC(=O)N[C@H](C)NC(=O)[C@H]2CCCC[C@@H]2NC(=O)C[C@H](CCCCN)NC(=O)N[C@H](C)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/C61H107N17O11/c1-37(70-59(87)73-42(34-52(66)80)16-10-13-29-62)67-57(85)47-20-5-8-23-50(47)77-54(82)36-44(18-12-15-31-64)75-61(89)72-39(3)69-58(86)48-21-6-9-24-51(48)78-55(83)35-43(17-11-14-30-63)74-60(88)71-38(2)68-56(84)46-19-4-7-22-49(46)76-53(81)33-41(65)32-40-25-27-45(79)28-26-40/h25-28,37-39,41-44,46-51,79H,4-24,29-36,62-65H2,1-3H3,(H2,66,80)(H,67,85)(H,68,84)(H,69,86)(H,76,81)(H,77,82)(H,78,83)(H2,70,73,87)(H2,71,74,88)(H2,72,75,89)/t37-,38-,39-,41+,42+,43+,44+,46+,47+,48+,49+,50+,51+/m1/s1

InChIKey

IVQBLMDROHUPIF-KAZYEJEDSA-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]ethyl]carbamoylamino]heptanoyl]amino]cyclohexanecarbonyl]amino]ethyl]carbamoylamino]heptanoyl]amino]-N-[(1R)-1-[[(3S)-1,7-diamino-1-oxoheptan-3-yl]carbamoylamino]ethyl]cyclohexane-1-carboxamide

Related CIDs

• CID 129901058