Pulmadex

Structural Information

Molecular Formula

C₇₁H₁₁₀N₂₈O₁₃

SMILES

C[C@H](C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CN=CN2)C(=O)NCC(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CC4=CC=CC=C4)C(=O)N[C@H](CC5=CN=CN5)C(=O)N)N

InChI

InChI=1S/C71H110N28O13/c1-41(75)60(103)91-48(15-5-8-24-72)62(105)94-52(19-12-28-85-71(79)80)66(109)99-57(33-46-36-83-40-89-46)69(112)98-56(32-45-35-82-39-88-45)61(104)86-37-58(101)90-54(30-43-20-22-47(100)23-21-43)67(110)95-49(16-6-9-25-73)63(106)93-51(18-11-27-84-70(77)78)64(107)92-50(17-7-10-26-74)65(108)97-55(29-42-13-3-2-4-14-42)68(111)96-53(59(76)102)31-44-34-81-38-87-44/h2-4,13-14,20-23,34-36,38-41,48-57,100H,5-12,15-19,24-33,37,72-75H2,1H3,(H2,76,102)(H,81,87)(H,82,88)(H,83,89)(H,86,104)(H,90,101)(H,91,103)(H,92,107)(H,93,106)(H,94,105)(H,95,110)(H,96,111)(H,97,108)(H,98,112)(H,99,109)(H4,77,78,84)(H4,79,80,85)/t41-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1

InChIKey

UIBPZXXSPHGPDS-UXLZJAPBSA-N

Compound name

(2R)-6-amino-N-[(2R)-1-[[(2R)-1-[[(2R)-1-[[2-[[(2R)-1-[[(2R)-6-amino-1-[[(2R)-1-[[(2R)-6-amino-1-[[(2R)-1-[[(2R)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-2-[[(2R)-2-aminopropanoyl]amino]hexanamide

Related CIDs

• CID 71587612