Geldelvylldgpgydpihs

Structural Information

Molecular Formula

C₁₀₀H₁₄₈N₂₂O₃₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)CNC(=O)[C@@H]4CCCN4C(=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](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CN

InChI

InChI=1S/C100H148N22O34/c1-13-53(12)83(98(153)116-67(38-56-43-102-47-105-56)92(147)118-71(46-123)100(155)156)120-96(151)73-17-15-31-122(73)99(154)70(41-81(137)138)117-90(145)65(36-54-18-22-57(124)23-19-54)107-75(127)44-103-95(150)72-16-14-30-121(72)76(128)45-104-84(139)68(39-79(133)134)113-88(143)63(34-50(6)7)111-87(142)62(33-49(4)5)112-91(146)66(37-55-20-24-58(125)25-21-55)115-97(152)82(52(10)11)119-94(149)64(35-51(8)9)110-86(141)60(27-29-78(131)132)108-93(148)69(40-80(135)136)114-89(144)61(32-48(2)3)109-85(140)59(26-28-77(129)130)106-74(126)42-101/h18-25,43,47-53,59-73,82-83,123-125H,13-17,26-42,44-46,101H2,1-12H3,(H,102,105)(H,103,150)(H,104,139)(H,106,126)(H,107,127)(H,108,148)(H,109,140)(H,110,141)(H,111,142)(H,112,146)(H,113,143)(H,114,144)(H,115,152)(H,116,153)(H,117,145)(H,118,147)(H,119,149)(H,120,151)(H,129,130)(H,131,132)(H,133,134)(H,135,136)(H,137,138)(H,155,156)/t53-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,82-,83-/m0/s1

InChIKey

COFYZAFYVQOUGU-DAFWOBIASA-N

Compound name

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

Related CIDs

• CID 71597580