Kkkkvvaatyvlvk

Structural Information

Molecular Formula

C₇₅H₁₃₅N₁₉O₁₇

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](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/C75H135N19O17/c1-40(2)38-55(68(103)91-58(42(5)6)71(106)87-54(75(110)111)28-18-23-37-80)88-72(107)59(43(7)8)92-69(104)56(39-48-29-31-49(96)32-30-48)89-74(109)61(47(13)95)94-63(98)46(12)82-62(97)45(11)83-70(105)57(41(3)4)93-73(108)60(44(9)10)90-67(102)53(27-17-22-36-79)86-66(101)52(26-16-21-35-78)85-65(100)51(25-15-20-34-77)84-64(99)50(81)24-14-19-33-76/h29-32,40-47,50-61,95-96H,14-28,33-39,76-81H2,1-13H3,(H,82,97)(H,83,105)(H,84,99)(H,85,100)(H,86,101)(H,87,106)(H,88,107)(H,89,109)(H,90,102)(H,91,103)(H,92,104)(H,93,108)(H,94,98)(H,110,111)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1

InChIKey

RSGIWJBRBWMYNW-MTCUEMEWSA-N

Compound name

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

Related CIDs

• CID 16072947