Kkkkvvaatyvlk

Structural Information

Molecular Formula

C₇₀H₁₂₆N₁₈O₁₆

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](CCCCN)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/C70H126N18O16/c1-38(2)36-52(64(97)82-51(70(103)104)26-16-21-35-75)83-67(100)55(40(5)6)86-65(98)53(37-45-27-29-46(90)30-28-45)84-69(102)57(44(11)89)88-59(92)43(10)77-58(91)42(9)78-66(99)54(39(3)4)87-68(101)56(41(7)8)85-63(96)50(25-15-20-34-74)81-62(95)49(24-14-19-33-73)80-61(94)48(23-13-18-32-72)79-60(93)47(76)22-12-17-31-71/h27-30,38-44,47-57,89-90H,12-26,31-37,71-76H2,1-11H3,(H,77,91)(H,78,99)(H,79,93)(H,80,94)(H,81,95)(H,82,97)(H,83,100)(H,84,102)(H,85,96)(H,86,98)(H,87,101)(H,88,92)(H,103,104)/t42-,43-,44+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1

InChIKey

PHSBKIDBTVNIII-GQHOOVGQSA-N

Compound name

(2S)-6-amino-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]hexanoic acid

Related CIDs

• CID 16072987