Gelgrlvylldgpgydpi

Structural Information

Molecular Formula

C₉₀H₁₃₉N₂₁O₂₇

SMILES

CC[C@H](C)[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CN

InChI

InChI=1S/C90H139N21O27/c1-13-50(12)75(89(137)138)109-86(134)66-19-16-32-111(66)88(136)64(40-73(122)123)107-82(130)61(37-51-20-24-53(112)25-21-51)100-69(116)43-96-85(133)65-18-15-31-110(65)70(117)44-97-77(125)63(39-72(120)121)105-81(129)59(35-47(6)7)103-80(128)58(34-46(4)5)104-83(131)62(38-52-22-26-54(113)27-23-52)106-87(135)74(49(10)11)108-84(132)60(36-48(8)9)102-78(126)55(17-14-30-94-90(92)93)99-68(115)42-95-76(124)57(33-45(2)3)101-79(127)56(28-29-71(118)119)98-67(114)41-91/h20-27,45-50,55-66,74-75,112-113H,13-19,28-44,91H2,1-12H3,(H,95,124)(H,96,133)(H,97,125)(H,98,114)(H,99,115)(H,100,116)(H,101,127)(H,102,126)(H,103,128)(H,104,131)(H,105,129)(H,106,135)(H,107,130)(H,108,132)(H,109,134)(H,118,119)(H,120,121)(H,122,123)(H,137,138)(H4,92,93,94)/t50-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,74-,75-/m0/s1

InChIKey

RKGSROJOOOSZEV-DHWVAHOWSA-N

Compound name

(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 71598483