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

Structural Information

Molecular Formula

C₆₁H₁₀₇N₂₃O₁₁

SMILES

C[C@H](NC(=O)[C@H]1CCCC[C@@H]1NC(=O)C[C@H](CCCN=C(N)N)NC(=O)N[C@H](C)NC(=O)[C@H]2CCCC[C@@H]2NC(=O)C[C@H](CCCN=C(N)N)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](CCCN=C(N)N)CC(=O)N

InChI

InChI=1S/C61H107N23O11/c1-34(76-59(93)79-39(31-49(63)86)13-10-26-70-56(64)65)73-54(91)44-17-5-8-20-47(44)83-51(88)33-41(15-12-28-72-58(68)69)81-61(95)78-36(3)75-55(92)45-18-6-9-21-48(45)84-52(89)32-40(14-11-27-71-57(66)67)80-60(94)77-35(2)74-53(90)43-16-4-7-19-46(43)82-50(87)30-38(62)29-37-22-24-42(85)25-23-37/h22-25,34-36,38-41,43-48,85H,4-21,26-33,62H2,1-3H3,(H2,63,86)(H,73,91)(H,74,90)(H,75,92)(H,82,87)(H,83,88)(H,84,89)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)(H2,76,79,93)(H2,77,80,94)(H2,78,81,95)/t34-,35-,36-,38+,39+,40+,41+,43+,44+,45+,46+,47+,48+/m1/s1

InChIKey

FLWXZRHYQLUDIV-AMRYQWFMSA-N

Compound name

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

Related CIDs

• CID 129901060