Tat-9

Structural Information

Molecular Formula

C₆₂H₁₂₀N₃₂O₁₂S

SMILES

C1CCN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCC(=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/C62H120N32O12S/c63-24-3-1-14-38-51(101)88-39(15-2-4-25-64)52(102)90-41(19-11-30-82-60(72)73)54(104)92-43(21-13-32-84-62(76)77)56(106)94(33-6-5-26-78-45(95)22-7-23-46(96)85-36(49(99)87-38)16-8-27-79-57(66)67)34-47(97)86-37(17-9-28-80-58(68)69)50(100)89-40(18-10-29-81-59(70)71)53(103)91-42(20-12-31-83-61(74)75)55(105)93-44(35-107)48(65)98/h36-44,107H,1-35,63-64H2,(H2,65,98)(H,78,95)(H,85,96)(H,86,97)(H,87,99)(H,88,101)(H,89,100)(H,90,102)(H,91,103)(H,92,104)(H,93,105)(H4,66,67,79)(H4,68,69,80)(H4,70,71,81)(H4,72,73,82)(H4,74,75,83)(H4,76,77,84)/t36-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1

InChIKey

ZNQTYLXNSWSGJO-FSLKYBNLSA-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]-3,6,9,12,15,22,26-heptaoxo-1,4,7,10,13,16,21-heptazacyclohexacos-16-yl]acetyl]amino]-5-(diaminomethylideneamino)pentanamide

Related CIDs

• CID 480134