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

Structural Information

Molecular Formula

C₆₇H₁₁₉N₂₃O₁₁

SMILES

CC(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(C)C)NC(=O)[C@H]2CCCC[C@@H]2NC(=O)C[C@H](CCCN=C(N)N)NC(=O)N[C@H](C(C)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/C67H119N23O11/c1-37(2)56(88-65(99)79-42(34-52(69)92)16-13-29-76-62(70)71)85-60(97)47-20-8-11-23-50(47)83-54(94)36-44(18-15-31-78-64(74)75)81-67(101)90-58(39(5)6)87-61(98)48-21-9-12-24-51(48)84-55(95)35-43(17-14-30-77-63(72)73)80-66(100)89-57(38(3)4)86-59(96)46-19-7-10-22-49(46)82-53(93)33-41(68)32-40-25-27-45(91)28-26-40/h25-28,37-39,41-44,46-51,56-58,91H,7-24,29-36,68H2,1-6H3,(H2,69,92)(H,82,93)(H,83,94)(H,84,95)(H,85,97)(H,86,96)(H,87,98)(H4,70,71,76)(H4,72,73,77)(H4,74,75,78)(H2,79,88,99)(H2,80,89,100)(H2,81,90,101)/t41-,42-,43-,44-,46-,47-,48-,49-,50-,51-,56+,57+,58+/m0/s1

InChIKey

AXXXAYRVQFNGBL-KHOLBECQSA-N

Compound name

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

Related CIDs

• CID 129901062