Kkkkvvaatyvlvf

Structural Information

Molecular Formula

C₇₈H₁₃₂N₁₈O₁₇

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](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)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/C78H132N18O17/c1-42(2)39-57(71(105)93-62(45(7)8)75(109)91-59(78(112)113)41-50-25-15-14-16-26-50)89-74(108)61(44(5)6)94-72(106)58(40-51-31-33-52(98)34-32-51)90-77(111)64(49(13)97)96-66(100)48(12)84-65(99)47(11)85-73(107)60(43(3)4)95-76(110)63(46(9)10)92-70(104)56(30-20-24-38-82)88-69(103)55(29-19-23-37-81)87-68(102)54(28-18-22-36-80)86-67(101)53(83)27-17-21-35-79/h14-16,25-26,31-34,42-49,53-64,97-98H,17-24,27-30,35-41,79-83H2,1-13H3,(H,84,99)(H,85,107)(H,86,101)(H,87,102)(H,88,103)(H,89,108)(H,90,111)(H,91,109)(H,92,104)(H,93,105)(H,94,106)(H,95,110)(H,96,100)(H,112,113)/t47-,48-,49+,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-/m0/s1

InChIKey

BUPKUOBINGSQDF-FYXXPGPFSA-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-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid

Related CIDs

• CID 16072950