Nh2-his-val-met-leu-ala-leu-ala-thr-val-leu-ser-met-ala-gly-ala-gly-thr-gly-ala-thr-ala-ile-cooh

Structural Information

Molecular Formula

C₈₉H₁₅₄N₂₄O₂₇S₂

SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC1=CN=CN1)N

InChI

InChI=1S/C89H154N24O27S2/c1-24-44(12)67(89(139)140)111-75(125)50(18)101-87(137)69(52(20)116)112-74(124)47(15)97-63(119)35-94-84(134)68(51(19)115)108-64(120)36-93-71(121)45(13)96-62(118)34-92-72(122)46(14)98-78(128)56(25-27-141-22)102-83(133)61(37-114)107-82(132)60(31-41(6)7)106-86(136)66(43(10)11)110-88(138)70(53(21)117)113-76(126)49(17)100-80(130)58(29-39(2)3)104-73(123)48(16)99-81(131)59(30-40(4)5)105-79(129)57(26-28-142-23)103-85(135)65(42(8)9)109-77(127)55(90)32-54-33-91-38-95-54/h33,38-53,55-61,65-70,114-117H,24-32,34-37,90H2,1-23H3,(H,91,95)(H,92,122)(H,93,121)(H,94,134)(H,96,118)(H,97,119)(H,98,128)(H,99,131)(H,100,130)(H,101,137)(H,102,133)(H,103,135)(H,104,123)(H,105,129)(H,106,136)(H,107,132)(H,108,120)(H,109,127)(H,110,138)(H,111,125)(H,112,124)(H,113,126)(H,139,140)/t44-,45-,46-,47-,48-,49-,50-,51+,52+,53+,55-,56-,57-,58-,59-,60-,61-,65-,66-,67-,68-,69-,70-/m0/s1

InChIKey

IDUASSCXKBHQLC-JPILDJPOSA-N

Compound name

(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]acetyl]amino]propanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16131749