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(2S)-N-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]but

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Catalog Number
ACM134805779
Product Name
(2S)-N-[(2S,3R,4R,5S)-3,4-Dihydroxy-5-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-di(phenyl)hexan-2-yl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]but
CAS
134805-77-9
Category
Heterocyclic Organic Compound
Synonyms
A-76889, 1hvl, (2s,2s)-n,n-[(2s,3r,4r,5s)-3,4-dihydroxy-1,6-diphenylhexane-2,5-diyl]bis(3-methyl-2-{[methyl(pyridin-2-ylmethyl)carbamoyl]amino}butanamide)(non-preferred name), 134805-77-9, A76, AC1L2HWY, SureCN6448973, CHEMBL43294, KST-1A1257, AR-1A3374, A76889, A 76889, 2,5-Bis[(N-2-pyridylmethyl-N-methylamino)valyl-1,6-diphenyl-3,4-(R,R)-dihydroxyhexane, (2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide, L-Iditol, 1,2,5,6-tetradeoxy-2,5-bis((3-methyl-2-(((methyl(2-pyridinylmethyl)amino)carbonyl)amino)-1-oxobutyl)amino)-1,6-diphenyl-, (2(S)),5(S))-, N-{1-BENZYL-(2R,3R)-2,3-DIHYDROXY-4-[3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRYLAMINO]-5-PHENYL-PENTYL}-3-METHYL-2-(3-METHYL-3-PYRIDIN-2-YLMETHYL-UREIDO)-BUTYRAMIDE
IUPAC Name
(2S)-N-[(2S,3R,4R,5S)-3,4-dihydroxy-5-[[(2S)-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanoyl]amino]-1,6-diphenylhexan-2-yl]-3-methyl-2-[[methyl(pyridin-2-ylmethyl)carbamoyl]amino]butanamide
Molecular Weight
794.981 g/mol
Molecular Formula
C44H58N8O6
Canonical SMILES
CC(C)C(C(=O)NC(CC1=CC=CC=C1)C(C(C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)N(C)CC3=CC=CC=N3)O)O)NC(=O)N(C)CC4=CC=CC=N4
InChI Key
QPVWMQXBTCSLCB-RRUVMKMCSA-N
Boiling Point
1098.6ºC at 760mmHg
Flash Point
618.2ºC
Density
1.209g/cm³
Exact Mass
794.44800
H-Bond Acceptor
8
H-Bond Donor
6
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