Kkkkvvaatyklka

Structural Information

Molecular Formula

C₇₄H₁₃₄N₂₀O₁₇

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](CC(C)C)C(=O)N[C@@H](CCCCN)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/C74H134N20O17/c1-41(2)39-56(69(105)88-51(24-12-18-34-76)64(100)84-46(9)74(110)111)90-67(103)54(27-15-21-37-79)89-70(106)57(40-48-29-31-49(96)32-30-48)91-73(109)60(47(10)95)94-62(98)45(8)82-61(97)44(7)83-71(107)58(42(3)4)93-72(108)59(43(5)6)92-68(104)55(28-16-22-38-80)87-66(102)53(26-14-20-36-78)86-65(101)52(25-13-19-35-77)85-63(99)50(81)23-11-17-33-75/h29-32,41-47,50-60,95-96H,11-28,33-40,75-81H2,1-10H3,(H,82,97)(H,83,107)(H,84,100)(H,85,99)(H,86,101)(H,87,102)(H,88,105)(H,89,106)(H,90,103)(H,91,109)(H,92,104)(H,93,108)(H,94,98)(H,110,111)/t44-,45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-/m0/s1

InChIKey

MIHANFRBRNQFOU-JBQCYJJJSA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[(2S)-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]-4-methylpentanoyl]amino]hexanoyl]amino]propanoic acid

Related CIDs

• CID 16072953