M23 phage-gene 3 protein

Structural Information

Molecular Formula

C₇₃H₉₈N₁₆O₂₀S₂

SMILES

C[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N1)C)CC(C)C)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)CC(=O)O)CC(=O)O)CC(C)C)C)NC(=O)[C@H](CC6=CC=CC=C6)N)C(=O)O

InChI

InChI=1S/C73H98N16O20S2/c1-37(2)25-48-66(101)80-41(7)72(107)89-24-16-23-56(89)71(106)79-40(6)62(97)88-55(73(108)109)36-111-110-35-54(87-63(98)46(74)27-42-17-10-8-11-18-42)70(105)78-39(5)61(96)83-49(26-38(3)4)67(102)86-52(30-59(92)93)65(100)77-34-58(91)82-53(31-60(94)95)69(104)85-50(28-43-19-12-9-13-20-43)64(99)76-33-57(90)81-51(68(103)84-48)29-44-32-75-47-22-15-14-21-45(44)47/h8-15,17-22,32,37-41,46,48-56,75H,16,23-31,33-36,74H2,1-7H3,(H,76,99)(H,77,100)(H,78,105)(H,79,106)(H,80,101)(H,81,90)(H,82,91)(H,83,96)(H,84,103)(H,85,104)(H,86,102)(H,87,98)(H,88,97)(H,92,93)(H,94,95)(H,108,109)/t39-,40-,41-,46-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m0/s1

InChIKey

RGPDXEBKTTYBGZ-MTSITXDVSA-N

Compound name

(3S,6S,9S,15S,18S,24S,27S,30S,33R,38R,41S,44S)-33-[[(2S)-2-amino-3-phenylpropanoyl]amino]-15-benzyl-18,24-bis(carboxymethyl)-9-(1H-indol-3-ylmethyl)-3,30,41-trimethyl-6,27-bis(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,40,43-tridecaoxo-35,36-dithia-1,4,7,10,13,16,19,22,25,28,31,39,42-tridecazabicyclo[42.3.0]heptatetracontane-38-carboxylic acid

Related CIDs

• CID 16134109