(3S)-3-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-carbamoyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-[[(2S,3R)-3-hydroxy-1-oxo-butan-2-yl]carbamoyl]propanoic acid
Molecular Formula:
C58H77N11O17
InChI: InChI=1/C58H77N11O17/c1-30(2)49(67-54(82)45-13-9-23-69(45)58(86)42(27-46(59)75)64-51(79)39(24-33-10-6-5-7-11-33)63-55(83)48(60)32(4)72)56(84)65-41(26-35-16-20-37(74)21-17-35)57(85)68-22-8-12-44(68)53(81)62-38(25-34-14-18-36(73)19-15-34)50(78)61-40(28-47(76)77)52(80)66-43(29-70)31(3)71/h5-7,10-11,14-21,29-32,38-45,48-49,71-74H,8-9,12-13,22-28,60H2,1-4H3,(H2,59,75)(H,61,78)(H,62,81)(H,63,83)(H,64,79)(H,65,84)(H,66,80)(H,67,82)(H,76,77)/t31-,32-,38+,39+,40+,41+,42+,43-,44+,45+,48+,49+/m1/s1/f/h61-67,76H,59H2
InChIKey: InChIKey=DNGDGKLHOYFGNO-DRAUODFADF
SMILES: CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CC(=O)O)C(=O)NC(C=O)C(C)O)NC(=O)C4CCCN4C(=O)C(CC(=O)N)NC(=O)C(CC5=CC=CC=C5)NC(=O)C(C(C)O)N
Names:
(3S)-3-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxy-butanoyl]amino]-3-phenyl-propanoyl]amino]-3-carbamoyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-[[(2S,3R)-3-hydroxy-1-oxo-butan-2-yl]carbamoyl]propanoic acid
Registries:
PubChem CID 6852163
PubChem ID 11532224
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