Tat-2

Structural Information

Molecular Formula

C₆₀H₁₁₆N₃₂O₁₂S

SMILES

C1CC(=O)NCCN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)C1)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/C60H116N32O12S/c61-22-3-1-12-36-49(99)86-37(13-2-4-23-62)50(100)88-39(17-9-27-80-58(70)71)52(102)90-41(19-11-29-82-60(74)75)54(104)92(31-30-76-43(93)20-5-21-44(94)83-34(47(97)85-36)14-6-24-77-55(64)65)32-45(95)84-35(15-7-25-78-56(66)67)48(98)87-38(16-8-26-79-57(68)69)51(101)89-40(18-10-28-81-59(72)73)53(103)91-42(33-105)46(63)96/h34-42,105H,1-33,61-62H2,(H2,63,96)(H,76,93)(H,83,94)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H,88,100)(H,89,101)(H,90,102)(H,91,103)(H4,64,65,77)(H4,66,67,78)(H4,68,69,79)(H4,70,71,80)(H4,72,73,81)(H4,74,75,82)/t34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1

InChIKey

KHWZUINSXPRELT-UTALAWHWSA-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-[(6S,9S,12S,15S,18S)-12,15-bis(4-aminobutyl)-6,9,18-tris[3-(diaminomethylideneamino)propyl]-5,8,11,14,17,20,24-heptaoxo-1,4,7,10,13,16,19-heptazacyclotetracos-4-yl]acetyl]amino]-5-(diaminomethylideneamino)pentanamide

Related CIDs

• CID 480132