Gc434

Structural Information

Molecular Formula

C₇₆H₁₁₆N₂₂O₁₇S

SMILES

C[C@@H](C(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@@H]6CCCN6C(=O)CNC(=O)[C@H](CCSC)NC(=O)CN

InChI

InChI=1S/C76H116N22O17S/c1-43(2)63(72(111)87-44(3)75(114)115)95-71(110)58-27-17-34-98(58)74(113)55(36-45-18-6-5-7-19-45)94-68(107)54(38-59(80)99)92-67(106)50(24-14-31-83-76(81)82)90-70(109)57-26-16-33-97(57)73(112)52(23-11-13-30-78)91-66(105)49(22-10-12-29-77)89-61(101)41-85-65(104)53(37-46-40-84-48-21-9-8-20-47(46)48)93-69(108)56-25-15-32-96(56)62(102)42-86-64(103)51(28-35-116-4)88-60(100)39-79/h5-9,18-21,40,43-44,49-58,63,84H,10-17,22-39,41-42,77-79H2,1-4H3,(H2,80,99)(H,85,104)(H,86,103)(H,87,111)(H,88,100)(H,89,101)(H,90,109)(H,91,105)(H,92,106)(H,93,108)(H,94,107)(H,95,110)(H,114,115)(H4,81,82,83)/t44-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,63-/m0/s1

InChIKey

HQYUPOZMEDUTFT-CVEJRZQZSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylsulfanylbutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]hexanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]propanoic acid

Related CIDs

• CID 25078054