Tat10-biotin

Structural Information

Molecular Formula

C₅₉H₁₁₆N₃₂O₁₂S

SMILES

CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(=O)N)C(=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](CSC)C(=O)N

InChI

InChI=1S/C59H116N32O12S/c1-32(92)82-33(15-7-25-76-54(64)65)45(95)83-34(13-3-5-23-60)46(96)84-35(14-4-6-24-61)47(97)85-36(16-8-26-77-55(66)67)48(98)87-39(19-11-29-80-58(72)73)51(101)90-41(21-22-43(62)93)53(103)89-38(18-10-28-79-57(70)71)50(100)86-37(17-9-27-78-56(68)69)49(99)88-40(20-12-30-81-59(74)75)52(102)91-42(31-104-2)44(63)94/h33-42H,3-31,60-61H2,1-2H3,(H2,62,93)(H2,63,94)(H,82,92)(H,83,95)(H,84,96)(H,85,97)(H,86,100)(H,87,98)(H,88,99)(H,89,103)(H,90,101)(H,91,102)(H4,64,65,76)(H4,66,67,77)(H4,68,69,78)(H4,70,71,79)(H4,72,73,80)(H4,74,75,81)/t33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1

InChIKey

JERKLDZGJQNOBB-NUDUWCFGSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-3-methylsulfanyl-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]pentanediamide

Related CIDs

• CID 511982