AIDS-134020

Molecular Formula: C60H96N16O14


InChI: InChI=1/C60H96N16O14/c1-8-33(6)48(74-53(83)40(20-22-47(62)79)69-52(82)39-16-11-23-65-39)56(86)75-49(34(7)77)57(87)72-42(26-31(2)3)54(84)71-43(28-36-30-67-38-15-10-9-14-37(36)38)51(81)68-29-35(19-21-46(61)78)50(80)70-41(17-12-24-66-60(63)64)58(88)76-25-13-18-45(76)55(85)73-44(59(89)90)27-32(4)5/h9-10,14-15,30-35,39-45,48-49,65,67,77H,8,11-13,16-29H2,1-7H3,(H2,61,78)(H2,62,79)(H,68,81)(H,69,82)(H,70,80)(H,71,84)(H,72,87)(H,73,85)(H,74,83)(H,75,86)(H,89,90)(H4,63,64,66)/f/h68-75,89H,61-64H2

InChIKey: InChIKey=JDRHGMVSJFWMSN-YTBZKFOZCC
SMILES: CCC(C)C(C(=O)NC(C(C)O)C(=O)NC(CC(C)C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NCC(CCC(=O)N)C(=O)NC(CCCN=C(N)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C4CCCN4

Names:
    AIDS-134020
    AIDS134020
    NSC631186
    N-((1-(2-(3-((Amino(imino)methyl)amino)propyl)-5,21-bis(3-amino-3-oxopropyl)-18-sec-butyl-15-(1-hydroxyethyl)-9-(1H-indol-3-ylmethyl)-12-isobutyl-4,8,11,14,17,20,23-heptaoxo-23-(2-pyrrolidinyl)-3,7,10\t,13,16,19,22-heptaazatricos-1-anoyl)-2-pyrrolidinyl)carbonyl)leucine
    2-[[1-[2-[[4-carbamoyl-2-[[[2-[[2-[[2-[[2-[[4-carbamoyl-2-(pyrrolidine-2-carbonylamino)butanoyl]amino]-3-methyl-pentanoyl]amino]-3-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]methyl]butanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid

Registries:
    PubChem CID 364651
    PubChem ID 229969