(1s,2s)-n-[(1s,2s)-2-[[(3s)-1-amino-6-(diaminomethylideneamino)-1-oxohexan-3-yl]carbamoyl]cyclohexyl]-2-[[(3s)-3-[[(1s,2s)-2-[[(1s,2s)-2-[[(3s)-3-[[(1s,2s)-2-[[(1s,2s)-2-[[(3s)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]-6-(diaminomethylideneamino)hexanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]-6-(diaminomethylideneamino)hexanoyl]amino]cyclohexane-1-carboxamide

Structural Information

Molecular Formula

C₇₃H₁₂₂N₂₀O₁₁

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)NC(=O)C[C@H](CCCN=C(N)N)NC(=O)[C@H]3CCCC[C@@H]3NC(=O)[C@H]4CCCC[C@@H]4NC(=O)C[C@H](CCCN=C(N)N)NC(=O)[C@H]5CCCC[C@@H]5NC(=O)[C@H]6CCCC[C@@H]6NC(=O)C[C@H](CC7=CC=C(C=C7)O)N

InChI

InChI=1S/C73H122N20O11/c74-44(38-43-31-33-48(94)34-32-43)39-62(96)88-55-25-7-1-19-49(55)68(102)92-59-29-11-5-23-53(59)66(100)86-46(17-14-36-83-72(78)79)41-64(98)90-57-27-9-3-21-51(57)70(104)93-60-30-12-6-24-54(60)67(101)87-47(18-15-37-84-73(80)81)42-63(97)89-56-26-8-2-20-50(56)69(103)91-58-28-10-4-22-52(58)65(99)85-45(40-61(75)95)16-13-35-82-71(76)77/h31-34,44-47,49-60,94H,1-30,35-42,74H2,(H2,75,95)(H,85,99)(H,86,100)(H,87,101)(H,88,96)(H,89,97)(H,90,98)(H,91,103)(H,92,102)(H,93,104)(H4,76,77,82)(H4,78,79,83)(H4,80,81,84)/t44-,45-,46-,47-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1

InChIKey

UOUCMDXZCOQWFD-KCPZEEGQSA-N

Compound name

(1S,2S)-N-[(1S,2S)-2-[[(3S)-1-amino-6-(diaminomethylideneamino)-1-oxohexan-3-yl]carbamoyl]cyclohexyl]-2-[[(3S)-3-[[(1S,2S)-2-[[(1S,2S)-2-[[(3S)-3-[[(1S,2S)-2-[[(1S,2S)-2-[[(3S)-3-amino-4-(4-hydroxyphenyl)butanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]-6-(diaminomethylideneamino)hexanoyl]amino]cyclohexanecarbonyl]amino]cyclohexanecarbonyl]amino]-6-(diaminomethylideneamino)hexanoyl]amino]cyclohexane-1-carboxamide

Related CIDs

• CID 129901024