Kkkkvvaatyvkv

Structural Information

Molecular Formula

C₆₉H₁₂₄N₁₈O₁₆

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](CCCCN)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/C69H124N18O16/c1-37(2)52(85-67(100)54(39(5)6)83-62(95)49(25-15-20-34-73)80-61(94)48(24-14-19-33-72)79-60(93)47(23-13-18-32-71)78-59(92)46(75)22-12-17-31-70)65(98)77-41(9)57(90)76-42(10)58(91)87-56(43(11)88)68(101)82-51(36-44-27-29-45(89)30-28-44)64(97)84-53(38(3)4)66(99)81-50(26-16-21-35-74)63(96)86-55(40(7)8)69(102)103/h27-30,37-43,46-56,88-89H,12-26,31-36,70-75H2,1-11H3,(H,76,90)(H,77,98)(H,78,92)(H,79,93)(H,80,94)(H,81,99)(H,82,101)(H,83,95)(H,84,97)(H,85,100)(H,86,96)(H,87,91)(H,102,103)/t41-,42-,43+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1

InChIKey

CJYSTJPQVZOHCV-GGRYGFPKSA-N

Compound name

(2S)-2-[[(2S)-6-amino-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]hexanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 16072986