Gc494

Structural Information

Molecular Formula

C₈₃H₁₃₄N₂₆O₂₈

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H](CC(C)C)N)O

InChI

InChI=1S/C83H134N26O28/c1-39(2)28-47(85)68(122)103-55(31-45-34-89-37-93-45)77(131)104-54(29-40(3)4)75(129)101-52(19-23-63(115)116)73(127)99-50(17-21-60(86)111)69(123)92-36-61(112)97-48(14-10-11-25-84)70(124)96-43(8)81(135)109-27-13-16-59(109)79(133)106-56(32-46-35-90-38-94-46)76(130)98-49(15-12-26-91-83(87)88)72(126)100-51(18-22-62(113)114)71(125)95-42(7)67(121)108-66(44(9)110)80(134)102-53(20-24-64(117)118)74(128)105-57(33-65(119)120)78(132)107-58(82(136)137)30-41(5)6/h34-35,37-44,47-59,66,110H,10-33,36,84-85H2,1-9H3,(H2,86,111)(H,89,93)(H,90,94)(H,92,123)(H,95,125)(H,96,124)(H,97,112)(H,98,130)(H,99,127)(H,100,126)(H,101,129)(H,102,134)(H,103,122)(H,104,131)(H,105,128)(H,106,133)(H,107,132)(H,108,121)(H,113,114)(H,115,116)(H,117,118)(H,119,120)(H,136,137)(H4,87,88,91)/t42-,43-,44+,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,66-/m0/s1

InChIKey

LZTIGHAHAYYYNG-XMSMPOCJSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 16130181