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Structural Information

Molecular Formula

C₇₂H₁₀₂N₁₄O₂₄

SMILES

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

InChI

InChI=1S/C72H102N14O24/c1-6-38(4)60(86-68(105)51(83-69(106)58(75)39(5)87)35-42-20-22-43(88)23-21-42)71(108)84-49(33-40-15-9-7-10-16-40)65(102)81-50(34-41-17-11-8-12-18-41)67(104)85-59(37(2)3)70(107)79-47(26-30-55(92)93)64(101)82-52(36-57(96)97)66(103)78-45(24-28-53(74)89)62(99)76-44(19-13-14-32-73)61(98)77-46(25-29-54(90)91)63(100)80-48(72(109)110)27-31-56(94)95/h7-12,15-18,20-23,37-39,44-52,58-60,87-88H,6,13-14,19,24-36,73,75H2,1-5H3,(H2,74,89)(H,76,99)(H,77,98)(H,78,103)(H,79,107)(H,80,100)(H,81,102)(H,82,101)(H,83,106)(H,84,108)(H,85,104)(H,86,105)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,109,110)/t38-,39+,44-,45-,46-,47-,48-,49-,50-,51-,52-,58-,59-,60-/m0/s1

InChIKey

QRRZJPGJENVSSW-YTNWTLKZSA-N

Compound name

(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,3R)-2-amino-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid

Related CIDs

• CID 16130164