Ac-cys-phe-ala-tyr-ile-ala-arg-pro-leu-pro-arg-ala-his-ile-lys-glu-nh2

Structural Information

Molecular Formula

C₈₉H₁₄₀N₂₆O₂₀S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C89H140N26O20S/c1-11-48(5)70(112-79(127)63(42-55-29-31-57(117)32-30-55)108-74(122)51(8)101-78(126)62(41-54-22-14-13-15-23-54)110-81(129)66(45-136)103-53(10)116)84(132)102-52(9)73(121)107-61(26-19-37-98-89(94)95)86(134)114-38-20-28-68(114)83(131)111-65(40-47(3)4)87(135)115-39-21-27-67(115)82(130)105-60(25-18-36-97-88(92)93)76(124)100-50(7)75(123)109-64(43-56-44-96-46-99-56)80(128)113-71(49(6)12-2)85(133)106-59(24-16-17-35-90)77(125)104-58(72(91)120)33-34-69(118)119/h13-15,22-23,29-32,44,46-52,58-68,70-71,117,136H,11-12,16-21,24-28,33-43,45,90H2,1-10H3,(H2,91,120)(H,96,99)(H,100,124)(H,101,126)(H,102,132)(H,103,116)(H,104,125)(H,105,130)(H,106,133)(H,107,121)(H,108,122)(H,109,123)(H,110,129)(H,111,131)(H,112,127)(H,113,128)(H,118,119)(H4,92,93,97)(H4,94,95,98)/t48-,49-,50-,51-,52-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,70-,71-/m0/s1

InChIKey

CORZZGMCLAZVTB-XIGTVLPNSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoic acid

Related CIDs

• CID 16130718