R.i.ck(biotin)-tat9

Structural Information

Molecular Formula

C₈₀H₁₅₁N₃₇O₁₆S₂

SMILES

CC(=O)N[C@H](CS)C(=O)N[C@H](CCCCNC(=O)CCCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N

InChI

InChI=1S/C80H151N37O16S2/c1-45(118)105-56(43-134)73(132)114-49(21-8-12-36-98-60(120)29-3-2-11-35-97-61(121)30-5-4-28-58-62-57(44-135-58)116-80(133)117-62)66(125)109-51(24-15-39-101-76(89)90)68(127)111-52(25-16-40-102-77(91)92)69(128)112-54(27-18-42-104-79(95)96)71(130)115-55(31-32-59(83)119)72(131)113-53(26-17-41-103-78(93)94)70(129)110-50(23-14-38-100-75(87)88)67(126)108-48(20-7-10-34-82)65(124)107-47(19-6-9-33-81)64(123)106-46(63(84)122)22-13-37-99-74(85)86/h46-58,62,134H,2-44,81-82H2,1H3,(H2,83,119)(H2,84,122)(H,97,121)(H,98,120)(H,105,118)(H,106,123)(H,107,124)(H,108,126)(H,109,125)(H,110,129)(H,111,127)(H,112,128)(H,113,131)(H,114,132)(H,115,130)(H4,85,86,99)(H4,87,88,100)(H4,89,90,101)(H4,91,92,102)(H4,93,94,103)(H4,95,96,104)(H2,116,117,133)/t46-,47-,48-,49+,50-,51-,52-,53-,54-,55-,56+,57?,58?,62?/m0/s1

InChIKey

NNWLAQCQZJVICO-USNGJREJSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-acetamido-3-sulfanylpropanoyl]amino]-6-[6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoylamino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]pentanediamide

Related CIDs

• CID 16186197