3-[[(1S)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethyl]carbamoyl]propanoic acid; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol
Molecular Formula:
C42H59N5O11
InChI: InChI=1/C35H42N4O6.C7H17NO5/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42);4-13H,2-3H2,1H3/t21?,22?,24?,25?,29-,32?,35+;4-,5+,6+,7+/m00/s1/f/h37-39,41H;
InChIKey: InChIKey=DEZUAGYSLSZLFO-UJTSDKDMDU
SMILES: CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC(C3=CC=CC=C3)NC(=O)CCC(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6.CNCC(C(C(C(CO)O)O)O)O
Names:
3-[[(1S)-2-[[(2R)-2-(2-adamantyloxycarbonylamino)-3-(1H-indol-3-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethyl]carbamoyl]propanoic acid; (2R,3R,4R,5S)-6-methylaminohexane-1,2,3,4,5-pentol
Registries:
PubChem CID 108186
PubChem ID 10234632
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