Peptide f85

Structural Information

Molecular Formula

C₇₄H₁₀₈N₁₆O₃₀S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC1=CC=CC=C1)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](CC2=CC=C(C=C2)O)NC(=O)[C@H]([C@@H](C)O)N

InChI

InChI=1S/C74H108N16O30S/c1-6-35(4)60(90-69(114)46(86-71(116)58(77)36(5)91)29-38-15-17-39(92)18-16-38)73(118)88-50(33-121)70(115)83-45(28-37-12-8-7-9-13-37)68(113)89-59(34(2)3)72(117)82-44(22-26-54(98)99)65(110)84-47(30-55(100)101)66(111)81-41(19-23-51(76)93)62(107)78-40(14-10-11-27-75)61(106)79-42(20-24-52(94)95)63(108)80-43(21-25-53(96)97)64(109)85-48(31-56(102)103)67(112)87-49(74(119)120)32-57(104)105/h7-9,12-13,15-18,34-36,40-50,58-60,91-92,121H,6,10-11,14,19-33,75,77H2,1-5H3,(H2,76,93)(H,78,107)(H,79,106)(H,80,108)(H,81,111)(H,82,117)(H,83,115)(H,84,110)(H,85,109)(H,86,116)(H,87,112)(H,88,118)(H,89,113)(H,90,114)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,119,120)/t35-,36+,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,58-,59-,60-/m0/s1

InChIKey

BAKCIZBEFSIISF-JAFBKVIQSA-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]-3-phenylpropanoyl]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 16130251