Gelgrpvyvlgdpgyyat

Structural Information

Molecular Formula

C₈₉H₁₃₁N₂₁O₂₇

SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H]5CCCN5C(=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)O

InChI

InChI=1S/C89H131N21O27/c1-44(2)34-58(102-78(126)56(29-30-70(119)120)98-66(115)40-90)76(124)94-41-67(116)99-57(14-11-31-93-89(91)92)86(134)110-33-13-16-65(110)83(131)107-73(47(7)8)85(133)105-62(38-52-21-27-55(114)28-22-52)81(129)106-72(46(5)6)84(132)104-59(35-45(3)4)77(125)95-42-69(118)101-63(39-71(121)122)87(135)109-32-12-15-64(109)82(130)96-43-68(117)100-60(36-50-17-23-53(112)24-18-50)80(128)103-61(37-51-19-25-54(113)26-20-51)79(127)97-48(9)75(123)108-74(49(10)111)88(136)137/h17-28,44-49,56-65,72-74,111-114H,11-16,29-43,90H2,1-10H3,(H,94,124)(H,95,125)(H,96,130)(H,97,127)(H,98,115)(H,99,116)(H,100,117)(H,101,118)(H,102,126)(H,103,128)(H,104,132)(H,105,133)(H,106,129)(H,107,131)(H,108,123)(H,119,120)(H,121,122)(H,136,137)(H4,91,92,93)/t48-,49+,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,72-,73-,74-/m0/s1

InChIKey

QTANVUGTCYFZOS-GCFRQFEKSA-N

Compound name

(4S)-4-[(2-aminoacetyl)amino]-5-[[(2S)-1-[[2-[[(2S)-5-carbamimidamido-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-3-carboxy-1-[(2S)-2-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71598110