Tat-16 bcp

Structural Information

Molecular Formula

C₆₆H₁₂₈N₃₂O₁₂S

SMILES

C1CCCN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCCC(=O)NCC1)CCCN=C(N)N)CCCCN)CCCCN)CCCN=C(N)N)CCCN=C(N)N)CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CS)C(=O)N

InChI

InChI=1S/C66H128N32O12S/c67-28-8-6-18-42-55(105)92-43(19-7-9-29-68)56(106)94-45(23-15-34-86-64(76)77)58(108)96-47(25-17-36-88-66(80)81)60(110)98(37-11-2-1-10-30-82-49(99)26-4-3-5-27-50(100)89-40(53(103)91-42)20-12-31-83-61(70)71)38-51(101)90-41(21-13-32-84-62(72)73)54(104)93-44(22-14-33-85-63(74)75)57(107)95-46(24-16-35-87-65(78)79)59(109)97-48(39-111)52(69)102/h40-48,111H,1-39,67-68H2,(H2,69,102)(H,82,99)(H,89,100)(H,90,101)(H,91,103)(H,92,105)(H,93,104)(H,94,106)(H,95,107)(H,96,108)(H,97,109)(H4,70,71,83)(H4,72,73,84)(H4,74,75,85)(H4,76,77,86)(H4,78,79,87)(H4,80,81,88)/t40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1

InChIKey

FPINNONDAPAXIJ-UILVTTEASA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-2-[[2-[(2S,5S,8S,11S,14S)-5,8-bis(4-aminobutyl)-2,11,14-tris[3-(diaminomethylideneamino)propyl]-3,6,9,12,15,24,30-heptaoxo-1,4,7,10,13,16,23-heptazacyclotriacont-16-yl]acetyl]amino]-5-(diaminomethylideneamino)pentanamide

Related CIDs

• CID 480146