H-leu-lys-his-ile-val-trp-ala-ser-arg-glu-leu-glu-arg-phe-ala-oh

Structural Information

Molecular Formula

C₈₆H₁₃₅N₂₅O₂₁

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C86H135N25O21/c1-11-47(8)69(111-80(127)64(39-52-41-93-43-97-52)107-73(120)56(25-17-18-32-87)100-71(118)54(88)35-44(2)3)83(130)110-68(46(6)7)82(129)108-63(38-51-40-96-55-24-16-15-23-53(51)55)78(125)98-48(9)70(117)109-65(42-112)81(128)102-57(26-19-33-94-85(89)90)72(119)103-60(29-31-67(115)116)76(123)105-61(36-45(4)5)79(126)104-59(28-30-66(113)114)75(122)101-58(27-20-34-95-86(91)92)74(121)106-62(37-50-21-13-12-14-22-50)77(124)99-49(10)84(131)132/h12-16,21-24,40-41,43-49,54,56-65,68-69,96,112H,11,17-20,25-39,42,87-88H2,1-10H3,(H,93,97)(H,98,125)(H,99,124)(H,100,118)(H,101,122)(H,102,128)(H,103,119)(H,104,126)(H,105,123)(H,106,121)(H,107,120)(H,108,129)(H,109,117)(H,110,130)(H,111,127)(H,113,114)(H,115,116)(H,131,132)(H4,89,90,94)(H4,91,92,95)/t47-,48-,49-,54-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,68-,69-/m0/s1

InChIKey

MLTCLGYZSSUJDK-XEAMUATQSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130662