Microviridin n7

Structural Information

Molecular Formula

C₉₈H₁₃₅N₂₃O₃₀

SMILES

C[C@@H]1[C@@H](C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)C[C@H](NC(=O)[C@@H]3CCC(=O)OC[C@@H](C(=O)N[C@@H](CC(=O)O1)C(=O)N[C@H](C(=O)N3)CC(C)C)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC2=O)CC5=CC=CC=C5)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC6=CC=C(C=C6)O)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@@H]9CCCN9C(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C98H135N23O30/c1-48(2)39-63-85(136)107-61-31-34-76(130)150-47-69-90(141)112-67(88(139)110-63)44-77(131)151-51(6)80(119-89(140)65(42-54-45-104-58-20-11-10-19-56(54)58)113-91(142)71-24-16-38-121(71)96(147)78(49(3)4)118-84(135)60(30-33-75(128)129)108-93(144)79(50(5)122)117-73(125)46-105-81(132)57(99)29-32-74(126)127)94(145)114-64(40-53-25-27-55(123)28-26-53)86(137)106-59(82(133)115-68(41-52-17-8-7-9-18-52)95(146)120-37-15-23-70(120)92(143)116-69)21-12-13-35-102-72(124)43-66(111-83(61)134)87(138)109-62(97(148)149)22-14-36-103-98(100)101/h7-11,17-20,25-28,45,48-51,57,59-71,78-80,104,122-123H,12-16,21-24,29-44,46-47,99H2,1-6H3,(H,102,124)(H,105,132)(H,106,137)(H,107,136)(H,108,144)(H,109,138)(H,110,139)(H,111,134)(H,112,141)(H,113,142)(H,114,145)(H,115,133)(H,116,143)(H,117,125)(H,118,135)(H,119,140)(H,126,127)(H,128,129)(H,148,149)(H4,100,101,103)/t50-,51-,57+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+,71+,78+,79+,80+/m1/s1

InChIKey

VPBFOEOIIUFLET-JYAURXKXSA-N

Compound name

(4S)-4-amino-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(1S,4S,10S,13S,19S,22S,25S,29R,30S,33S,43S)-4-benzyl-43-[[(1S)-4-carbamimidamido-1-carboxybutyl]carbamoyl]-33-[(4-hydroxyphenyl)methyl]-29-methyl-22-(2-methylpropyl)-2,5,11,16,21,24,27,31,34,41,45,47-dodecaoxo-15,28-dioxa-3,6,12,20,23,32,35,40,44,46-decazatetracyclo[17.16.10.213,25.06,10]heptatetracontan-30-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 155802372