AIDS-133282

Molecular Formula: C₇₁H₁₂₀N₂₀O₂₃

InChI: InChI=1/C71H120N20O23/c1-34(2)27-44(61(103)84-45(28-39-17-11-10-12-18-39)62(104)81-43(71(113)114)22-24-51(76)97)83-64(106)47(31-92)85-60(102)41(19-13-15-25-72)79-59(101)42(20-14-16-26-73)80-68(110)54(35(3)4)88-53(99)30-78-67(109)57(38(9)95)91-66(108)49(33-94)87-69(111)55(36(5)6)90-70(112)56(37(7)8)89-65(107)48(32-93)86-63(105)46(29-52(77)98)82-58(100)40(74)21-23-50(75)96/h10-12,17-18,34-38,40-49,54-57,92-95H,13-16,19-33,72-74H2,1-9H3,(H2,75,96)(H2,76,97)(H2,77,98)(H,78,109)(H,79,101)(H,80,110)(H,81,104)(H,82,100)(H,83,106)(H,84,103)(H,85,102)(H,86,105)(H,87,111)(H,88,99)(H,89,107)(H,90,112)(H,91,108)(H,113,114)/f/h78-91,113H,75-77H2

InChIKey: InChIKey=BHAGLKUPDMOPLB-NXWJHVSHCB
SMILES: CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(C(C)C)NC(=O)CNC(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)N)N

Names:
    AIDS-133282
    AIDS133282
    NSC628624
    2-[[2-[[2-[[2-[[6-amino-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-carbamoyl-butanoyl)amino]-3-carbamoyl-propanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-butanoyl]amino]-3-hydroxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]acetyl]amino]-3-methyl-butanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-hydroxy-propanoyl]amino]-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-carbamoyl-butanoic acid
    44,47-Diamino-14,17-bis(4-aminobutyl)-41-(2-amino-2-oxoethyl)-2-(3-amino-3-oxopropyl)-5-benzyl-26-(1-hydroxyethyl)-11,29,38-tris(hydroxymethyl)-8-isobutyl-20,32,35-triisopropyl-4,7,10,13,16,19,22,25,2\t8,31,34,37,40,43,47-pentadecaoxo-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaazaheptatetracontan-1-oic acid

Registries:
    PubChem CID 363612
    PubChem ID 229231