Adlevvaatyvlvd

Structural Information

Molecular Formula

C₆₇H₁₀₈N₁₄O₂₃

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](C(C)C)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/C67H108N14O23/c1-28(2)23-41(73-59(95)44(26-47(86)87)72-54(90)34(13)68)58(94)71-40(21-22-46(84)85)57(93)77-52(33(11)12)65(101)80-49(30(5)6)62(98)70-35(14)55(91)69-36(15)56(92)81-53(37(16)82)66(102)75-43(25-38-17-19-39(83)20-18-38)61(97)79-50(31(7)8)63(99)74-42(24-29(3)4)60(96)78-51(32(9)10)64(100)76-45(67(103)104)27-48(88)89/h17-20,28-37,40-45,49-53,82-83H,21-27,68H2,1-16H3,(H,69,91)(H,70,98)(H,71,94)(H,72,90)(H,73,95)(H,74,99)(H,75,102)(H,76,100)(H,77,93)(H,78,96)(H,79,97)(H,80,101)(H,81,92)(H,84,85)(H,86,87)(H,88,89)(H,103,104)/t34-,35-,36-,37+,40-,41-,42-,43-,44-,45-,49-,50-,51-,52-,53-/m0/s1

InChIKey

NTXCUPQKMXHFPY-FMCBVYIVSA-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-methylbutanoyl]amino]butanedioic acid

Related CIDs

• CID 16072944