(1s,2s)-2-amino-n-[(1s,2s)-2-[[(3s)-1-[[(1s,2s)-2-[[(1s,2s)-2-[[(3s)-1-[[(1s,2s)-2-[[(1s,2s)-2-[[(3s)-1-amino-6-(diaminomethylideneamino)-1-oxohexan-3-yl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]amino]-6-(diaminomethylideneamino)-1-oxohexan-3-yl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]amino]-6-(diaminomethylideneamino)-1-oxohexan-3-yl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide

Structural Information

Molecular Formula

C₆₃H₁₁₁N₁₉O₉

SMILES

C1CC[C@@H]([C@H](C1)C(=O)N[C@H]2CCCC[C@@H]2C(=O)N[C@@H](CCCN=C(N)N)CC(=O)N[C@H]3CCCC[C@@H]3C(=O)N[C@H]4CCCC[C@@H]4C(=O)N[C@@H](CCCN=C(N)N)CC(=O)N[C@H]5CCCC[C@@H]5C(=O)N[C@H]6CCCC[C@@H]6C(=O)N[C@@H](CCCN=C(N)N)CC(=O)N)N

InChI

InChI=1S/C63H111N19O9/c64-46-25-7-1-19-40(46)55(86)80-49-28-10-4-22-43(49)57(88)76-38(17-14-32-73-62(68)69)35-53(84)79-48-27-9-3-21-42(48)60(91)82-51-30-12-6-24-45(51)58(89)77-39(18-15-33-74-63(70)71)36-54(85)78-47-26-8-2-20-41(47)59(90)81-50-29-11-5-23-44(50)56(87)75-37(34-52(65)83)16-13-31-72-61(66)67/h37-51H,1-36,64H2,(H2,65,83)(H,75,87)(H,76,88)(H,77,89)(H,78,85)(H,79,84)(H,80,86)(H,81,90)(H,82,91)(H4,66,67,72)(H4,68,69,73)(H4,70,71,74)/t37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1

InChIKey

XNRRZILWOQTYAW-OLAWGTLASA-N

Compound name

(1S,2S)-2-amino-N-[(1S,2S)-2-[[(3S)-1-[[(1S,2S)-2-[[(1S,2S)-2-[[(3S)-1-[[(1S,2S)-2-[[(1S,2S)-2-[[(3S)-1-amino-6-(diaminomethylideneamino)-1-oxohexan-3-yl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]amino]-6-(diaminomethylideneamino)-1-oxohexan-3-yl]carbamoyl]cyclohexyl]carbamoyl]cyclohexyl]amino]-6-(diaminomethylideneamino)-1-oxohexan-3-yl]carbamoyl]cyclohexyl]cyclohexane-1-carboxamide

Related CIDs

• CID 129901054