AIDS-146231

Molecular Formula: C₆₂H₉₈N₁₄O₂₂

InChI: InChI=1/C62H98N14O22/c1-12-30(8)48(73-60(95)50(33(11)78)75-54(89)38(24-42(64)80)66-43(81)26-63)58(93)72-46(28(4)5)56(91)65-31(9)51(86)71-47(29(6)7)57(92)67-36(19-20-44(82)83)52(87)68-37(22-27(2)3)53(88)69-39(25-45(84)85)55(90)74-49(32(10)77)59(94)70-40(23-34-15-17-35(79)18-16-34)61(96)76-21-13-14-41(76)62(97)98/h15-18,27-33,36-41,46-50,77-79H,12-14,19-26,63H2,1-11H3,(H2,64,80)(H,65,91)(H,66,81)(H,67,92)(H,68,87)(H,69,88)(H,70,94)(H,71,86)(H,72,93)(H,73,95)(H,74,90)(H,75,89)(H,82,83)(H,84,85)(H,97,98)/f/h65-75,82,84,97H,64H2

InChIKey: InChIKey=WARBRZOAJGBLCA-QYRGRGSNCN
SMILES: CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)O)NC(=O)C(C(C)O)NC(=O)C(CC(=O)N)NC(=O)CN

Names:
    AIDS-146231
    AIDS146231
    NSC672428
    1-(35-Amino-32-(2-amino-2-oxoethyl)-26-sec-butyl-14-(2-carboxyethyl)-8-(carboxymethyl)-2-(4-hydroxybenzyl)-5,29-bis(1-hydroxyethyl)-11-isobutyl-17,23-diisopropyl-20-methyl-4,7,10,13,16,19,22,25,28,31,\t34-undecaoxo-3,6,9,12,15,18,21,24,27,30,33-undecaazapentatriacont-1-anoyl)proline
    1-[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-carbamoyl-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-methyl-pentanoyl]amino]-3-methyl-butanoyl]amino]propanoylamino]-3-methyl-butanoyl]amino]-4-carboxy-butanoyl]amino]-4-methyl-pentanoyl]amino]-3-carboxy-propanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carboxylic acid

Registries:
    PubChem CID 383813
    PubChem ID 242180