H-hgqvdcspgiwqldcth-nh2

Structural Information

Molecular Formula

C₈₀H₁₁₉N₂₅O₂₅S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N)NC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CC5=CN=CN5)N

InChI

InChI=1S/C80H119N25O25S2/c1-8-38(6)64(102-60(111)30-89-76(126)56-14-11-19-105(56)80(130)53(31-106)99-74(124)54(32-131)100-73(123)52(25-62(114)115)98-77(127)63(37(4)5)103-69(119)46(15-17-57(82)108)92-59(110)29-88-67(117)44(81)22-41-27-85-34-90-41)78(128)97-50(21-40-26-87-45-13-10-9-12-43(40)45)71(121)93-47(16-18-58(83)109)68(118)95-49(20-36(2)3)70(120)96-51(24-61(112)113)72(122)101-55(33-132)75(125)104-65(39(7)107)79(129)94-48(66(84)116)23-42-28-86-35-91-42/h9-10,12-13,26-28,34-39,44,46-56,63-65,87,106-107,131-132H,8,11,14-25,29-33,81H2,1-7H3,(H2,82,108)(H2,83,109)(H2,84,116)(H,85,90)(H,86,91)(H,88,117)(H,89,126)(H,92,110)(H,93,121)(H,94,129)(H,95,118)(H,96,120)(H,97,128)(H,98,127)(H,99,124)(H,100,123)(H,101,122)(H,102,111)(H,103,119)(H,104,125)(H,112,113)(H,114,115)/t38-,39+,44-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,63-,64-,65-/m0/s1

InChIKey

RSQVWJOBBKDIAK-OQHZKKTISA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-1-[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2R)-1-[[(2S,3R)-1-[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16186558