Gc396

Structural Information

Molecular Formula

C₇₀H₁₂₂N₃₂O₂₁S

SMILES

C[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC2=CN=CN2)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C70H122N32O21S/c1-34(90-62(118)46(31-103)100-61(117)45(28-36-29-83-33-89-36)92-51(106)30-88-55(111)42(18-21-52(107)108)94-54(110)37(72)10-3-4-22-71)53(109)93-39(12-6-24-85-68(77)78)57(113)97-43(16-19-49(73)104)60(116)101-47(32-124)63(119)96-38(11-5-23-84-67(75)76)56(112)91-35(2)65(121)102-27-9-15-48(102)64(120)98-41(14-8-26-87-70(81)82)58(114)95-40(13-7-25-86-69(79)80)59(115)99-44(66(122)123)17-20-50(74)105/h29,33-35,37-48,103,124H,3-28,30-32,71-72H2,1-2H3,(H2,73,104)(H2,74,105)(H,83,89)(H,88,111)(H,90,118)(H,91,112)(H,92,106)(H,93,109)(H,94,110)(H,95,114)(H,96,119)(H,97,113)(H,98,120)(H,99,115)(H,100,117)(H,101,116)(H,107,108)(H,122,123)(H4,75,76,84)(H4,77,78,85)(H4,79,80,86)(H4,81,82,87)/t34-,35-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-/m0/s1

InChIKey

LPPOZIJMHMBKQY-IIPPXDOISA-N

Compound name

(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-5-amino-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-carboxy-2-[[(2S)-2,6-diaminohexanoyl]amino]butanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]pentanoyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130178