Peptide f88

Structural Information

Molecular Formula

C₇₅H₁₁₀N₁₆O₃₀S

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](CC1=CC=CC=C1)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/C75H110N16O30S/c1-6-36(4)61(91-70(115)48(87-72(117)59(78)37(5)92)31-39-15-17-40(93)18-16-39)74(119)89-51(34-122)71(116)83-46(23-28-56(101)102)67(112)90-60(35(2)3)73(118)84-45(22-27-55(99)100)66(111)85-47(30-38-12-8-7-9-13-38)68(113)82-42(19-24-52(77)94)63(108)79-41(14-10-11-29-76)62(107)80-43(20-25-53(95)96)64(109)81-44(21-26-54(97)98)65(110)86-49(32-57(103)104)69(114)88-50(75(120)121)33-58(105)106/h7-9,12-13,15-18,35-37,41-51,59-61,92-93,122H,6,10-11,14,19-34,76,78H2,1-5H3,(H2,77,94)(H,79,108)(H,80,107)(H,81,109)(H,82,113)(H,83,116)(H,84,118)(H,85,111)(H,86,110)(H,87,117)(H,88,114)(H,89,119)(H,90,112)(H,91,115)(H,95,96)(H,97,98)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,120,121)/t36-,37+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,59-,60-,61-/m0/s1

InChIKey

LZAYHRTZLCNXHL-CREASOFBSA-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-phenylpropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid

Related CIDs

• CID 16130259