Adllevvaatyvddd

Structural Information

Molecular Formula

C₇₀H₁₀₉N₁₅O₂₈

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=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](C)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C70H109N15O28/c1-28(2)21-40(76-61(103)41(22-29(3)4)77-62(104)43(24-48(90)91)75-56(98)33(11)71)60(102)74-39(19-20-47(88)89)59(101)82-54(32(9)10)68(110)84-52(30(5)6)66(108)73-34(12)57(99)72-35(13)58(100)85-55(36(14)86)69(111)79-42(23-37-15-17-38(87)18-16-37)65(107)83-53(31(7)8)67(109)80-45(26-50(94)95)63(105)78-44(25-49(92)93)64(106)81-46(70(112)113)27-51(96)97/h15-18,28-36,39-46,52-55,86-87H,19-27,71H2,1-14H3,(H,72,99)(H,73,108)(H,74,102)(H,75,98)(H,76,103)(H,77,104)(H,78,105)(H,79,111)(H,80,109)(H,81,106)(H,82,101)(H,83,107)(H,84,110)(H,85,100)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,112,113)/t33-,34-,35-,36+,39-,40-,41-,42-,43-,44-,45-,46-,52-,53-,54-,55-/m0/s1

InChIKey

YGHGDBMGCPABTF-JAROUARJSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid

Related CIDs

• CID 16186470