Tat-15

Structural Information

Molecular Formula

C₆₅H₁₂₆N₃₂O₁₂S

SMILES

C1CCCN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCCCC(=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/C65H126N32O12S/c66-27-7-5-17-41-54(104)91-42(18-6-8-28-67)55(105)93-44(22-14-33-85-63(75)76)57(107)95-46(24-16-35-87-65(79)80)59(109)97(36-10-2-1-9-29-81-48(98)25-3-4-26-49(99)88-39(52(102)90-41)19-11-30-82-60(69)70)37-50(100)89-40(20-12-31-83-61(71)72)53(103)92-43(21-13-32-84-62(73)74)56(106)94-45(23-15-34-86-64(77)78)58(108)96-47(38-110)51(68)101/h39-47,110H,1-38,66-67H2,(H2,68,101)(H,81,98)(H,88,99)(H,89,100)(H,90,102)(H,91,104)(H,92,103)(H,93,105)(H,94,106)(H,95,107)(H,96,108)(H4,69,70,82)(H4,71,72,83)(H4,73,74,84)(H4,75,76,85)(H4,77,78,86)(H4,79,80,87)/t39-,40-,41-,42-,43-,44-,45-,46-,47-/m0/s1

InChIKey

GPNCZGZLPNBNHC-CSYZDTNESA-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]-2,5,8,11,14,17,22-heptaoxo-1,4,7,10,13,16,23-heptazacyclononacos-1-yl]acetyl]amino]-5-(diaminomethylideneamino)pentanamide

Related CIDs

• CID 480145