(4s,5r,6r)-7-[[(3s,4r)-5-amino-1-[[(3r,9s,12s,15r,18r)-9-(3-amino-3-oxopropyl)-15-(3-aminopropyl)-3-(carboxymethyl)-18-(hydroxymethyl)-6-[(1r)-1-methoxyethyl]-10-methyl-22-[(2r)-3-methylbutan-2-yl]-12-(2-methylpropyl)-2,5,8,11,14,17,20,24-octaoxo-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[23.4.0]nonacosan-21-yl]amino]-3,4-dimethyl-1,5-dioxopentan-2-yl]amino]-4-[[(2r)-5-amino-2-[[(2r,3r,4r,6r)-3-hydroxy-2,4,6-trimethyloctanoyl]amino]pentanoyl]amino]-5,6-dihydroxy-7-oxoheptanoic acid

Structural Information

Molecular Formula

C₇₃H₁₂₇N₁₅O₂₄

SMILES

CC[C@@H](C)C[C@@H](C)[C@H]([C@@H](C)C(=O)N[C@H](CCCN)C(=O)N[C@@H](CCC(=O)O)[C@H]([C@H](C(=O)NC([C@@H](C)[C@@H](C)C(=O)N)C(=O)NC1C(OC(=O)C2CCCCN2C(=O)[C@H](NC(=O)C(NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)CO)CCCN)CC(C)C)C)CCC(=O)N)[C@@H](C)OC)CC(=O)O)[C@H](C)C(C)C)O)O)O

InChI

InChI=1S/C73H127N15O24/c1-15-36(6)31-37(7)57(95)41(11)62(99)79-44(20-18-27-74)63(100)78-43(23-26-52(91)92)58(96)59(97)70(107)84-54(39(9)40(10)61(77)98)67(104)86-56-60(38(8)35(4)5)112-73(110)50-22-16-17-29-88(50)72(109)47(32-53(93)94)82-68(105)55(42(12)111-14)85-66(103)49(24-25-51(76)90)87(13)71(108)46(30-34(2)3)81-64(101)45(21-19-28-75)80-65(102)48(33-89)83-69(56)106/h34-50,54-60,89,95-97H,15-33,74-75H2,1-14H3,(H2,76,90)(H2,77,98)(H,78,100)(H,79,99)(H,80,102)(H,81,101)(H,82,105)(H,83,106)(H,84,107)(H,85,103)(H,86,104)(H,91,92)(H,93,94)/t36-,37-,38-,39+,40-,41-,42-,43+,44-,45-,46+,47-,48-,49+,50?,54?,55?,56?,57-,58-,59-,60?/m1/s1

InChIKey

XUUXWAJRRMHFHD-KEACLNGFSA-N

Compound name

(4S,5R,6R)-7-[[(3S,4R)-5-amino-1-[[(3R,9S,12S,15R,18R)-9-(3-amino-3-oxopropyl)-15-(3-aminopropyl)-3-(carboxymethyl)-18-(hydroxymethyl)-6-[(1R)-1-methoxyethyl]-10-methyl-22-[(2R)-3-methylbutan-2-yl]-12-(2-methylpropyl)-2,5,8,11,14,17,20,24-octaoxo-23-oxa-1,4,7,10,13,16,19-heptazabicyclo[23.4.0]nonacosan-21-yl]amino]-3,4-dimethyl-1,5-dioxopentan-2-yl]amino]-4-[[(2R)-5-amino-2-[[(2R,3R,4R,6R)-3-hydroxy-2,4,6-trimethyloctanoyl]amino]pentanoyl]amino]-5,6-dihydroxy-7-oxoheptanoic acid

Related CIDs

• CID 176457142