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2-[[2-[[4-Amino-2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid

HCID 60139
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Basic information

CAS
106362-33-8
Standard SMILES
CC(N)C(=O)NC(CO)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CC(N)=O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C(=O)O)C(C)O)C(C)O)C(C)O)C(C)O
InChIKey
IWHCAJPPWOMXNW-UHFFFAOYSA-N
Molecular formula
C35H55N9O16
Average molar mass
857.9 g/mol
Monoisotopic mass
857.3766767

Names & identifiers

Preferred name
2-[[2-[[4-Amino-2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid
IUPAC
2-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid
English name
(D-ALA1)-PEPTIDE T
Molecular formula
C35H55N9O16
Molecular weight
857.86

Names & synonyms

(D-Ala1)-Peptide T106362-33-82-[[2-[[4-amino-2-[[2-[[2-[[2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acid4: PN: US6011014 SEQID: 3 claimed proteinUNII-YM99OI1N73SCHEMBL31468901DTXSID70909990ALA-SER-THR-THR-THR-ASN-TYR-THRACETATE(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoic acidN-{20-Amino-1,4,7,10,13,16,19-heptahydroxy-8,11,14-tris(1-hydroxyethyl)-5-(2-hydroxy-2-iminoethyl)-17-(hydroxymethyl)-2-[(4-hydroxyphenyl)methyl]-3,6,9,12,15,18-hexaazahenicosa-3,6,9,12,15,18-hexaen-1-ylidene}threonine(D-Ala1)-Peptide T, HIV Peptide TD-ALA-SER-THR-THR-THR-ASN-TYR-THR
Show more names
H-D-ALA-SER-THR-THR-THR-ASN-TYR-THR-OHD-Alanyl-L-seryl-L-threonyl-L-threonyl-L-threonyl-L-asparaginyl-L-tyrosyl-L-threonineL-Threonine, D-alanyl-L-seryl-L-threonyl-L-threonyl-L-threonyl-L-asparaginyl-L-tyrosyl-L-Threonine, N-(N-(N2-(N-(N-(N-(N-D-alanyl-L-seryl)-L-threonyl)-L-threonyl)-L-threonyl)-L-asparaginyl)-L-tyrosyl)-

Database identifiers

CAS
106362-33-8
PubChem CID
60139
DTXSID
DTXSID70909990

Properties

Computed structural properties

XLogP
-8.6
Topological polar surface area
431 Ų
Hydrogen bond donors
16
Hydrogen bond acceptors
17
Rotatable bonds
24
Heavy atoms
60
Formal charge
0
Complexity
1,530

Physicochemical properties

Density
1.432 · 1.432
storage temp.
-15 °C · -15°C
FDA UNII
99 OI1N73 · YM99OI1N73

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