Microviridin sd1634

Structural Information

Molecular Formula

C₇₅H₉₈N₁₈O₂₄

SMILES

C[C@@H]1C(C(=O)N[C@H](C(=O)N[C@H]2CCCCNC(=O)[C@H]([C@H](NC(=O)C3CCC(=O)OC[C@@H](C(=O)N[C@@H](CC(=O)O1)C(=O)N[C@H](C(=O)N3)CC4=CNC5=CC=CC=C54)NC(=O)[C@@H]6CCCN6C(=O)[C@H](NC2=O)CC7=CC=C(C=C7)O)C(=O)N[C@@H](CC8=CC=C(C=C8)O)C(=O)O)O)CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)C

InChI

InChI=1S/C75H98N18O24/c1-35(81-69(109)57(36(2)94)82-38(4)95)61(101)91-58-37(3)117-56(99)32-50-66(106)86-49(31-41-33-80-45-12-6-5-11-44(41)45)65(105)84-48-24-25-55(98)116-34-53(67(107)87-50)90-68(108)54-15-10-28-93(54)73(113)51(29-39-16-20-42(96)21-17-39)88-63(103)46(83-62(102)47(85-70(58)110)14-9-27-79-75(76)77)13-7-8-26-78-72(112)60(100)59(92-64(48)104)71(111)89-52(74(114)115)30-40-18-22-43(97)23-19-40/h5-6,11-12,16-23,33,35-37,46-54,57-60,80,94,96-97,100H,7-10,13-15,24-32,34H2,1-4H3,(H,78,112)(H,81,109)(H,82,95)(H,83,102)(H,84,105)(H,85,110)(H,86,106)(H,87,107)(H,88,103)(H,89,111)(H,90,108)(H,91,101)(H,92,104)(H,114,115)(H4,76,77,79)/t35-,36+,37+,46-,47-,48?,49-,50-,51+,52-,53-,54-,57-,58?,59-,60-/m0/s1

InChIKey

GNOPPRRGDJSLDP-JPVKKRFYSA-N

Compound name

(2S)-2-[[(1S,4R,10S,13S,22S,25S,29R,33S,42S,43S)-30-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]propanoyl]amino]-33-(3-carbamimidamidopropyl)-42-hydroxy-4-[(4-hydroxyphenyl)methyl]-22-(1H-indol-3-ylmethyl)-29-methyl-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]heptatetracontane-43-carbonyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Related CIDs

• CID 155802069
• CID 165359847