Microviridin n6

Structural Information

Molecular Formula

C₉₃H₁₂₈N₂₂O₂₇

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)CN

InChI

InChI=1S/C93H128N22O27/c1-46(2)37-60-80(127)101-58-30-32-72(122)141-45-66-85(132)106-64(83(130)104-60)42-73(123)142-49(6)76(113-84(131)62(40-52-44-99-55-20-11-10-19-54(52)55)107-86(133)68-24-16-36-115(68)91(138)74(47(3)4)112-79(126)57(29-31-71(120)121)102-88(135)75(48(5)116)111-70(119)43-94)89(136)108-61(38-51-25-27-53(117)28-26-51)81(128)100-56(77(124)109-65(39-50-17-8-7-9-18-50)90(137)114-35-15-23-67(114)87(134)110-66)21-12-13-33-97-69(118)41-63(105-78(58)125)82(129)103-59(92(139)140)22-14-34-98-93(95)96/h7-11,17-20,25-28,44,46-49,56-68,74-76,99,116-117H,12-16,21-24,29-43,45,94H2,1-6H3,(H,97,118)(H,100,128)(H,101,127)(H,102,135)(H,103,129)(H,104,130)(H,105,125)(H,106,132)(H,107,133)(H,108,136)(H,109,124)(H,110,134)(H,111,119)(H,112,126)(H,113,131)(H,120,121)(H,139,140)(H4,95,96,98)/t48-,49-,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,74+,75+,76+/m1/s1

InChIKey

NHBPCOSRFMASCI-AJDAMCSJSA-N

Compound name

(4S)-4-[[(2S,3R)-2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-5-[[(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]-5-oxopentanoic acid

Related CIDs

• CID 155802221