Biotin-d-lys-gly-d-ser-d-leu-d-val-d-ile-d-arg-gly-d-val-d-ile-d-val-d-val-d-cys-l-lys-l-lys

Structural Information

Molecular Formula

C₈₂H₁₄₉N₂₃O₁₉S₂

SMILES

CC[C@@H](C)[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@H](C(C)C)C(=O)N[C@H]([C@H](C)CC)C(=O)N[C@H](C(C)C)C(=O)N[C@H](C(C)C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@@H](CCCCN)NC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2

InChI

InChI=1S/C82H149N23O19S2/c1-15-47(13)65(103-77(119)63(45(9)10)100-71(113)53(36-42(3)4)96-72(114)54(39-106)92-59(108)37-89-68(110)49(26-19-22-32-83)91-58(107)31-18-17-30-57-67-56(41-126-57)98-82(124)105-67)78(120)94-50(29-25-35-88-81(86)87)69(111)90-38-60(109)99-61(43(5)6)75(117)104-66(48(14)16-2)79(121)102-64(46(11)12)76(118)101-62(44(7)8)74(116)97-55(40-125)73(115)93-51(27-20-23-33-84)70(112)95-52(80(122)123)28-21-24-34-85/h42-57,61-67,106,125H,15-41,83-85H2,1-14H3,(H,89,110)(H,90,111)(H,91,107)(H,92,108)(H,93,115)(H,94,120)(H,95,112)(H,96,114)(H,97,116)(H,99,109)(H,100,113)(H,101,118)(H,102,121)(H,103,119)(H,104,117)(H,122,123)(H4,86,87,88)(H2,98,105,124)/t47-,48-,49-,50+,51+,52+,53-,54-,55+,56+,57+,61-,62-,63-,64-,65-,66-,67+/m1/s1

InChIKey

QXJIFJKAZYQOTB-RBNHWEJDSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R,3R)-2-[[(2R)-2-[[2-[[(2S)-2-[[(2R,3R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[2-[[(2R)-2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-6-aminohexanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-sulfanylpropanoyl]amino]-6-aminohexanoyl]amino]-6-aminohexanoic acid

Related CIDs

• CID 492247