Kkkkvvaatykkva

Structural Information

Molecular Formula

C₇₃H₁₃₂N₂₀O₁₇

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](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/C73H132N20O17/c1-40(2)56(70(106)83-45(9)73(109)110)90-66(102)53(27-15-21-37-78)87-65(101)52(26-14-20-36-77)88-68(104)55(39-47-29-31-48(95)32-30-47)89-72(108)59(46(10)94)93-61(97)44(8)81-60(96)43(7)82-69(105)57(41(3)4)92-71(107)58(42(5)6)91-67(103)54(28-16-22-38-79)86-64(100)51(25-13-19-35-76)85-63(99)50(24-12-18-34-75)84-62(98)49(80)23-11-17-33-74/h29-32,40-46,49-59,94-95H,11-28,33-39,74-80H2,1-10H3,(H,81,96)(H,82,105)(H,83,106)(H,84,98)(H,85,99)(H,86,100)(H,87,101)(H,88,104)(H,89,108)(H,90,102)(H,91,103)(H,92,107)(H,93,97)(H,109,110)/t43-,44-,45-,46+,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-/m0/s1

InChIKey

WKJYEKJPKZOXAI-ZVRJXTDWSA-N

Compound name

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

Related CIDs

• CID 16072954