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Daptomycin
Daptomycin / CAS : 103060-53-3
| Appearance | colorless to faint yellow powder | UN | - |
| HS | 29419090 | DG Class | - |
| Synonyms | Cubicin; Daptomycin,N-(1-Oxodecyl)-L-Tryptophyl-D-Asparaginyl-L-α-Aspartyl-L-Threonylglycyl-L-Ornithinyl-L-α-Aspartyl-D-Alanyl-L-α-Aspartylglycyl-D-Seryl-(3R)-3-Methyl-L-α-Glutamyl-α,2-Diamino-γ-Oxo-Benzenebutanoicacid(13-4)Lactone; Cubicin Daptomycin; Cidecin; N-[N-(1-Oxodecyl)-L-Trp-D-Asn-L-Asp-]-Cyclo[L-Thr*-Gly-L-Orn-L-Asp-D-Ala-L-Asp-Gly-D-Ser-[(3R)-3-Methyl-L-Glu-]-4-(2-Aminophenyl)-4-Oxo-L-Abu-]; N-[N-Decanoyl-L-Trp-D-Asn-L-Asp-]-Cyclo[Thr*-Gly-L-Orn-L-Asp-D-Ala-L-Asp-Gly-D-Ser-[(3R)-3-Methyl-L-Glu-]-3-(2-Aminobenzoyl)-L-Ala-]; N-(1-Oxodecyl)-L-Tryptophyl-D-Asparaginyl-L-α-Aspartyl-L-Threonylglycyl-L-Ornithinyl-L-α-Aspartyl-D-Alanyl-L-α-Aspartylglycyl-D-Seryl-(3R)-3-Methyl-L-α-Glutamyl-α,2-Diamino-γ-Oxo-Benzenebutanoicacid(13-4)Lactone; Daptomycine; Dapcin | ||
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RFQ
Properties
Summary
Formula
C72H101N17O26
Molecular Mass
1620.67000
Exact Mass
1619.71000
PSA
702.02000
Logp
0.88280
IUPAC
(3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-4-oxobutanoic acid
SMILES
CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C
Attribute classification
Matter Classification
organic
Category
API & Intermediate > Pharmaceutical Raw Materials
Chemical and Physical Properties
Melting Point
202-204ºC
Density
1.45 g/cm3
Boiling Point
2078.2ºC
Flash Point
1210.7ºC
Appearance
colorless to faint yellow powder
Export information
HS Code
29419090
Export Rebate
13%
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