Nh2-leu-lys-ala-arg-thr-val-thr-phe-gly-val-val-thr-ser-val-ile-cooh

Structural Information

Molecular Formula

C₇₃H₁₂₇N₁₉O₂₀

SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C73H127N19O20/c1-17-39(12)55(72(111)112)89-66(105)52(36(6)7)86-64(103)49(33-93)84-70(109)57(42(15)95)92-67(106)53(37(8)9)87-65(104)51(35(4)5)85-50(97)32-79-61(100)48(31-44-24-19-18-20-25-44)83-69(108)56(41(14)94)91-68(107)54(38(10)11)88-71(110)58(43(16)96)90-63(102)47(27-23-29-78-73(76)77)81-59(98)40(13)80-62(101)46(26-21-22-28-74)82-60(99)45(75)30-34(2)3/h18-20,24-25,34-43,45-49,51-58,93-96H,17,21-23,26-33,74-75H2,1-16H3,(H,79,100)(H,80,101)(H,81,98)(H,82,99)(H,83,108)(H,84,109)(H,85,97)(H,86,103)(H,87,104)(H,88,110)(H,89,105)(H,90,102)(H,91,107)(H,92,106)(H,111,112)(H4,76,77,78)/t39-,40-,41+,42+,43+,45-,46-,47-,48-,49-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1

InChIKey

BKALWXLEWRCAFW-APLFZUPRSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16728441