Peptide t81

Structural Information

Molecular Formula

C₇₀H₁₀₆N₁₆O₃₂S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C70H106N16O32S/c1-6-31(4)56(86-65(112)41(82-67(114)54(73)32(5)87)25-33-10-12-34(88)13-11-33)69(116)84-45(29-119)66(113)78-40(18-23-50(96)97)62(109)85-55(30(2)3)68(115)79-39(17-22-49(94)95)61(108)80-42(26-51(98)99)63(110)77-36(14-19-46(72)89)58(105)74-35(9-7-8-24-71)57(104)75-37(15-20-47(90)91)59(106)76-38(16-21-48(92)93)60(107)81-43(27-52(100)101)64(111)83-44(70(117)118)28-53(102)103/h10-13,30-32,35-45,54-56,87-88,119H,6-9,14-29,71,73H2,1-5H3,(H2,72,89)(H,74,105)(H,75,104)(H,76,106)(H,77,110)(H,78,113)(H,79,115)(H,80,108)(H,81,107)(H,82,114)(H,83,111)(H,84,116)(H,85,109)(H,86,112)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,117,118)/t31-,32+,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,54-,55-,56-/m0/s1

InChIKey

DCZYKNYOKPOGMC-USKWTQLMSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-sulfanylpropanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid

Related CIDs

• CID 16130268