Peptide f81

Structural Information

Molecular Formula

C₇₅H₁₀₈N₁₆O₃₁S

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](CC2=CC=CC=C2)N

InChI

InChI=1S/C75H108N16O31S/c1-5-36(4)61(91-71(117)47(30-38-14-16-39(92)17-15-38)85-62(108)40(77)29-37-11-7-6-8-12-37)74(120)89-51(34-123)72(118)83-46(22-27-56(100)101)68(114)90-60(35(2)3)73(119)84-45(21-26-55(98)99)67(113)86-48(31-57(102)103)69(115)82-42(18-23-52(78)93)64(110)79-41(13-9-10-28-76)63(109)80-43(19-24-53(94)95)65(111)81-44(20-25-54(96)97)66(112)87-49(32-58(104)105)70(116)88-50(75(121)122)33-59(106)107/h6-8,11-12,14-17,35-36,40-51,60-61,92,123H,5,9-10,13,18-34,76-77H2,1-4H3,(H2,78,93)(H,79,110)(H,80,109)(H,81,111)(H,82,115)(H,83,118)(H,84,119)(H,85,108)(H,86,113)(H,87,112)(H,88,116)(H,89,120)(H,90,114)(H,91,117)(H,94,95)(H,96,97)(H,98,99)(H,100,101)(H,102,103)(H,104,105)(H,106,107)(H,121,122)/t36-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,60-,61-/m0/s1

InChIKey

JTRHRRVYMVKOTN-IOFXOOGASA-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)-2-amino-3-phenylpropanoyl]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 16130267