Tat-12

Structural Information

Molecular Formula

C₆₃H₁₂₂N₃₂O₁₂S

SMILES

C1CCCN(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(=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/C63H122N32O12S/c64-25-5-3-15-39-52(102)89-40(16-4-6-26-65)53(103)91-42(20-12-31-83-61(73)74)55(105)93-44(22-14-33-85-63(77)78)57(107)95(34-8-2-1-7-27-79-46(96)23-24-47(97)86-37(50(100)88-39)17-9-28-80-58(67)68)35-48(98)87-38(18-10-29-81-59(69)70)51(101)90-41(19-11-30-82-60(71)72)54(104)92-43(21-13-32-84-62(75)76)56(106)94-45(36-108)49(66)99/h37-45,108H,1-36,64-65H2,(H2,66,99)(H,79,96)(H,86,97)(H,87,98)(H,88,100)(H,89,102)(H,90,101)(H,91,103)(H,92,104)(H,93,105)(H,94,106)(H4,67,68,80)(H4,69,70,81)(H4,71,72,82)(H4,73,74,83)(H4,75,76,84)(H4,77,78,85)/t37-,38-,39-,40-,41-,42-,43-,44-,45-/m0/s1

InChIKey

BLPVVJGSBVTNBE-NVAZTIMOSA-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-heptazacycloheptacos-1-yl]acetyl]amino]-5-(diaminomethylideneamino)pentanamide

Related CIDs

• CID 480143