(1s,2s)-2-amino-n-[(1r)-1-[[(3s)-7-amino-1-[[(1s,2s)-2-[[(1r)-1-[[(3s)-7-amino-1-[[(1s,2s)-2-[[(1r)-1-[[(3s)-1,7-diamino-1-oxoheptan-3-yl]carbamoylamino]-2-phenylethyl]carbamoyl]cyclohexyl]amino]-1-oxoheptan-3-yl]carbamoylamino]-2-phenylethyl]carbamoyl]cyclohexyl]amino]-1-oxoheptan-3-yl]carbamoylamino]-2-phenylethyl]cyclohexane-1-carboxamide

Structural Information

Molecular Formula

C₆₉H₁₀₈N₁₆O₉

SMILES

C1CC[C@@H]([C@H](C1)C(=O)N[C@@H](CC2=CC=CC=C2)NC(=O)N[C@@H](CCCCN)CC(=O)N[C@H]3CCCC[C@@H]3C(=O)N[C@@H](CC4=CC=CC=C4)NC(=O)N[C@@H](CCCCN)CC(=O)N[C@H]5CCCC[C@@H]5C(=O)N[C@@H](CC6=CC=CC=C6)NC(=O)N[C@@H](CCCCN)CC(=O)N)N

InChI

InChI=1S/C69H108N16O9/c70-37-19-16-28-49(43-58(74)86)75-67(92)84-60(41-47-24-6-2-7-25-47)81-65(90)53-32-11-14-35-56(53)78-63(88)45-51(30-18-21-39-72)77-69(94)85-61(42-48-26-8-3-9-27-48)82-66(91)54-33-12-15-36-57(54)79-62(87)44-50(29-17-20-38-71)76-68(93)83-59(40-46-22-4-1-5-23-46)80-64(89)52-31-10-13-34-55(52)73/h1-9,22-27,49-57,59-61H,10-21,28-45,70-73H2,(H2,74,86)(H,78,88)(H,79,87)(H,80,89)(H,81,90)(H,82,91)(H2,75,84,92)(H2,76,83,93)(H2,77,85,94)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,59+,60+,61+/m0/s1

InChIKey

DDIZPBVZGSZQNP-BBZDTFHGSA-N

Compound name

(1S,2S)-2-amino-N-[(1R)-1-[[(3S)-7-amino-1-[[(1S,2S)-2-[[(1R)-1-[[(3S)-7-amino-1-[[(1S,2S)-2-[[(1R)-1-[[(3S)-1,7-diamino-1-oxoheptan-3-yl]carbamoylamino]-2-phenylethyl]carbamoyl]cyclohexyl]amino]-1-oxoheptan-3-yl]carbamoylamino]-2-phenylethyl]carbamoyl]cyclohexyl]amino]-1-oxoheptan-3-yl]carbamoylamino]-2-phenylethyl]cyclohexane-1-carboxamide

Related CIDs

• CID 129901063