Kkkkvvattyvlv

Structural Information

Molecular Formula

C₇₀H₁₂₅N₁₇O₁₇

SMILES

C[C@H]([C@@H](C(=O)N[C@@H]([C@@H](C)O)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)O)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/C70H125N17O17/c1-36(2)34-50(63(96)85-55(40(9)10)70(103)104)80-66(99)53(38(5)6)83-64(97)51(35-44-26-28-45(90)29-27-44)81-68(101)56(42(12)88)87-69(102)57(43(13)89)86-58(91)41(11)76-65(98)52(37(3)4)84-67(100)54(39(7)8)82-62(95)49(25-17-21-33-74)79-61(94)48(24-16-20-32-73)78-60(93)47(23-15-19-31-72)77-59(92)46(75)22-14-18-30-71/h26-29,36-43,46-57,88-90H,14-25,30-35,71-75H2,1-13H3,(H,76,98)(H,77,92)(H,78,93)(H,79,94)(H,80,99)(H,81,101)(H,82,95)(H,83,97)(H,84,100)(H,85,96)(H,86,91)(H,87,102)(H,103,104)/t41-,42+,43+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m0/s1

InChIKey

NKJJHKPPJRPXOT-YIMLNRSSSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-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]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoic acid

Related CIDs

• CID 16072991