Suc-met-thr-trp-aib-glu-trp-asp-arg-glu-ile-aib-asn-tyr-thr-nh2

Structural Information

Molecular Formula

C₈₆H₁₂₁N₂₁O₂₇S

SMILES

CC[C@H](C)[C@@H](C(=O)NC(C)(C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)O)NC(=O)C(C)(C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)CCC(=O)O

InChI

InChI=1S/C86H121N21O27S/c1-10-41(2)67(81(132)107-86(7,8)83(134)102-59(37-61(87)111)76(127)97-56(34-44-21-23-47(110)24-22-44)78(129)104-68(42(3)108)70(88)121)103-73(124)53(25-28-63(113)114)96-71(122)52(20-15-32-91-84(89)90)95-77(128)60(38-66(119)120)99-75(126)57(35-45-39-92-50-18-13-11-16-48(45)50)98-72(123)54(26-29-64(115)116)101-82(133)85(5,6)106-79(130)58(36-46-40-93-51-19-14-12-17-49(46)51)100-80(131)69(43(4)109)105-74(125)55(31-33-135-9)94-62(112)27-30-65(117)118/h11-14,16-19,21-24,39-43,52-60,67-69,92-93,108-110H,10,15,20,25-38H2,1-9H3,(H2,87,111)(H2,88,121)(H,94,112)(H,95,128)(H,96,122)(H,97,127)(H,98,123)(H,99,126)(H,100,131)(H,101,133)(H,102,134)(H,103,124)(H,104,129)(H,105,125)(H,106,130)(H,107,132)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H4,89,90,91)/t41-,42+,43+,52-,53-,54-,55-,56-,57-,58-,59-,60-,67-,68-,69-/m0/s1

InChIKey

HIGMFMLWELOTII-KMXNSPOHSA-N

Compound name

(4S)-5-[[(2S,3S)-1-[[1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[(2S)-5-carbamimidamido-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-4-carboxy-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-(3-carboxypropanoylamino)-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-2-methylpropanoyl]amino]butanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]pentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131494