Kkkkvvaatyflva

Structural Information

Molecular Formula

C₇₆H₁₂₈N₁₈O₁₇

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)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/C76H128N18O17/c1-41(2)38-56(71(105)92-59(42(3)4)73(107)84-47(11)76(110)111)88-69(103)57(39-49-24-14-13-15-25-49)89-70(104)58(40-50-30-32-51(96)33-31-50)90-75(109)62(48(12)95)94-64(98)46(10)82-63(97)45(9)83-72(106)60(43(5)6)93-74(108)61(44(7)8)91-68(102)55(29-19-23-37-80)87-67(101)54(28-18-22-36-79)86-66(100)53(27-17-21-35-78)85-65(99)52(81)26-16-20-34-77/h13-15,24-25,30-33,41-48,52-62,95-96H,16-23,26-29,34-40,77-81H2,1-12H3,(H,82,97)(H,83,106)(H,84,107)(H,85,99)(H,86,100)(H,87,101)(H,88,103)(H,89,104)(H,90,109)(H,91,102)(H,92,105)(H,93,108)(H,94,98)(H,110,111)/t45-,46-,47-,48+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1

InChIKey

HYDAGBRMLLZNGZ-UXUZJBPRSA-N

Compound name

(2S)-2-[[(2S)-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-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoic acid

Related CIDs

• CID 16072948