Kkkkvvaatyvle

Structural Information

Molecular Formula

C₆₉H₁₂₁N₁₇O₁₈

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

InChI

InChI=1S/C69H121N17O18/c1-36(2)34-50(63(97)80-49(69(103)104)28-29-52(89)90)81-66(100)54(38(5)6)84-64(98)51(35-43-24-26-44(88)27-25-43)82-68(102)56(42(11)87)86-58(92)41(10)75-57(91)40(9)76-65(99)53(37(3)4)85-67(101)55(39(7)8)83-62(96)48(23-15-19-33-73)79-61(95)47(22-14-18-32-72)78-60(94)46(21-13-17-31-71)77-59(93)45(74)20-12-16-30-70/h24-27,36-42,45-51,53-56,87-88H,12-23,28-35,70-74H2,1-11H3,(H,75,91)(H,76,99)(H,77,93)(H,78,94)(H,79,95)(H,80,97)(H,81,100)(H,82,102)(H,83,96)(H,84,98)(H,85,101)(H,86,92)(H,89,90)(H,103,104)/t40-,41-,42+,45-,46-,47-,48-,49-,50-,51-,53-,54-,55-,56-/m0/s1

InChIKey

JQGUMTVDRLMFCT-LKQMHAHPSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]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]pentanedioic acid

Related CIDs

• CID 16072979