Adlevvaatyvldd

Structural Information

Molecular Formula

C₆₆H₁₀₄N₁₄O₂₅

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(C)C)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(=O)O)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C66H104N14O25/c1-27(2)21-39(72-59(97)42(24-46(85)86)71-53(91)32(11)67)57(95)70-38(19-20-45(83)84)56(94)77-51(31(9)10)64(102)79-49(29(5)6)62(100)69-33(12)54(92)68-34(13)55(93)80-52(35(14)81)65(103)75-41(23-36-15-17-37(82)18-16-36)61(99)78-50(30(7)8)63(101)74-40(22-28(3)4)58(96)73-43(25-47(87)88)60(98)76-44(66(104)105)26-48(89)90/h15-18,27-35,38-44,49-52,81-82H,19-26,67H2,1-14H3,(H,68,92)(H,69,100)(H,70,95)(H,71,91)(H,72,97)(H,73,96)(H,74,101)(H,75,103)(H,76,98)(H,77,94)(H,78,99)(H,79,102)(H,80,93)(H,83,84)(H,85,86)(H,87,88)(H,89,90)(H,104,105)/t32-,33-,34-,35+,38-,39-,40-,41-,42-,43-,44-,49-,50-,51-,52-/m0/s1

InChIKey

JWUQRCDPHRFDIY-USGJDRLDSA-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-aminopropanoyl]amino]-3-carboxypropanoyl]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]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]butanedioic acid

Related CIDs

• CID 16186473