Kkkkvvaatyvlkk

Structural Information

Molecular Formula

C₇₆H₁₃₈N₂₀O₁₇

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](CCCCN)C(=O)N[C@@H](CCCCN)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/C76H138N20O17/c1-42(2)40-57(70(106)89-54(27-15-21-37-80)68(104)90-56(76(112)113)29-17-23-39-82)91-73(109)60(44(5)6)94-71(107)58(41-49-30-32-50(98)33-31-49)92-75(111)62(48(11)97)96-64(100)47(10)84-63(99)46(9)85-72(108)59(43(3)4)95-74(110)61(45(7)8)93-69(105)55(28-16-22-38-81)88-67(103)53(26-14-20-36-79)87-66(102)52(25-13-19-35-78)86-65(101)51(83)24-12-18-34-77/h30-33,42-48,51-62,97-98H,12-29,34-41,77-83H2,1-11H3,(H,84,99)(H,85,108)(H,86,101)(H,87,102)(H,88,103)(H,89,106)(H,90,104)(H,91,109)(H,92,111)(H,93,105)(H,94,107)(H,95,110)(H,96,100)(H,112,113)/t46-,47-,48+,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-/m0/s1

InChIKey

YCLCCCLXIYGKFN-NWNOXUJASA-N

Compound name

(2S)-6-amino-2-[[(2S)-6-amino-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]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 16072946