Fyifevedqkeedd

Structural Information

Molecular Formula

C₈₁H₁₁₂N₁₆O₃₁

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)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](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CC=CC=C3)N

InChI

InChI=1S/C81H112N16O31/c1-5-41(4)67(97-78(124)54(36-44-19-21-45(98)22-20-44)91-68(114)46(83)34-42-14-8-6-9-15-42)80(126)94-53(35-43-16-10-7-11-17-43)75(121)89-52(27-32-62(106)107)74(120)96-66(40(2)3)79(125)90-51(26-31-61(104)105)73(119)92-55(37-63(108)109)76(122)88-48(23-28-58(84)99)70(116)85-47(18-12-13-33-82)69(115)86-49(24-29-59(100)101)71(117)87-50(25-30-60(102)103)72(118)93-56(38-64(110)111)77(123)95-57(81(127)128)39-65(112)113/h6-11,14-17,19-22,40-41,46-57,66-67,98H,5,12-13,18,23-39,82-83H2,1-4H3,(H2,84,99)(H,85,116)(H,86,115)(H,87,117)(H,88,122)(H,89,121)(H,90,125)(H,91,114)(H,92,119)(H,93,118)(H,94,126)(H,95,123)(H,96,120)(H,97,124)(H,100,101)(H,102,103)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,127,128)/t41-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,66-,67-/m0/s1

InChIKey

ITCREAPXIJYLAW-DTAVHPLSSA-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-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]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 16130274