Kkkkvvaatyvtv

Structural Information

Molecular Formula

C₆₇H₁₁₉N₁₇O₁₇

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]([C@@H](C)O)C(=O)N[C@@H](C(C)C)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/C67H119N17O17/c1-34(2)49(81-63(96)50(35(3)4)79-60(93)47(24-16-20-32-71)77-59(92)46(23-15-19-31-70)76-58(91)45(22-14-18-30-69)75-57(90)44(72)21-13-17-29-68)62(95)74-38(9)55(88)73-39(10)56(89)83-53(40(11)85)65(98)78-48(33-42-25-27-43(87)28-26-42)61(94)80-51(36(5)6)64(97)84-54(41(12)86)66(99)82-52(37(7)8)67(100)101/h25-28,34-41,44-54,85-87H,13-24,29-33,68-72H2,1-12H3,(H,73,88)(H,74,95)(H,75,90)(H,76,91)(H,77,92)(H,78,98)(H,79,93)(H,80,94)(H,81,96)(H,82,99)(H,83,89)(H,84,97)(H,100,101)/t38-,39-,40+,41+,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m0/s1

InChIKey

LJSLCRVKURZQMA-HIXWBBHMSA-N

Compound name

(2S)-2-[[(2S,3R)-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]-3-hydroxybutanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 16072994