Tat-6

Structural Information

Molecular Formula

C₆₁H₁₁₈N₃₂O₁₂S

SMILES

C1CCN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)NC1)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/C61H118N32O12S/c62-23-3-1-13-37-50(100)87-38(14-2-4-24-63)51(101)89-40(18-10-29-81-59(71)72)53(103)91-42(20-12-31-83-61(75)76)55(105)93(32-6-5-25-77-44(94)21-22-45(95)84-35(48(98)86-37)15-7-26-78-56(65)66)33-46(96)85-36(16-8-27-79-57(67)68)49(99)88-39(17-9-28-80-58(69)70)52(102)90-41(19-11-30-82-60(73)74)54(104)92-43(34-106)47(64)97/h35-43,106H,1-34,62-63H2,(H2,64,97)(H,77,94)(H,84,95)(H,85,96)(H,86,98)(H,87,100)(H,88,99)(H,89,101)(H,90,102)(H,91,103)(H,92,104)(H4,65,66,78)(H4,67,68,79)(H4,69,70,80)(H4,71,72,81)(H4,73,74,82)(H4,75,76,83)/t35-,36-,37-,38-,39-,40-,41-,42-,43-/m0/s1

InChIKey

PQXOVXWRZICPSL-GMIRWQTLSA-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-[(3S,6S,9S,12S,15S)-9,12-bis(4-aminobutyl)-3,6,15-tris[3-(diaminomethylideneamino)propyl]-2,5,8,11,14,17,20-heptaoxo-1,4,7,10,13,16,21-heptazacyclopentacos-1-yl]acetyl]amino]-5-(diaminomethylideneamino)pentanamide

Related CIDs

• CID 480138