Kdlkvvaatyvkkk

Structural Information

Molecular Formula

C₇₄H₁₃₁N₁₉O₁₉

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](CCCCN)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](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCCN)N)O

InChI

InChI=1S/C74H131N19O19/c1-39(2)36-53(88-68(105)55(38-56(96)97)87-63(100)48(80)22-12-17-31-75)67(104)84-51(25-15-20-34-78)66(103)90-59(42(7)8)72(109)92-57(40(3)4)70(107)82-43(9)61(98)81-44(10)62(99)93-60(45(11)94)73(110)89-54(37-46-27-29-47(95)30-28-46)69(106)91-58(41(5)6)71(108)85-50(24-14-19-33-77)64(101)83-49(23-13-18-32-76)65(102)86-52(74(111)112)26-16-21-35-79/h27-30,39-45,48-55,57-60,94-95H,12-26,31-38,75-80H2,1-11H3,(H,81,98)(H,82,107)(H,83,101)(H,84,104)(H,85,108)(H,86,102)(H,87,100)(H,88,105)(H,89,110)(H,90,103)(H,91,106)(H,92,109)(H,93,99)(H,96,97)(H,111,112)/t43-,44-,45+,48-,49-,50-,51-,52-,53-,54-,55-,57-,58-,59-,60-/m0/s1

InChIKey

OABAKAHSTUDNQX-XRFIRYENSA-N

Compound name

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 16072965