AG008RSV

106362-34-9 | (D-ALA1)-PEPTIDE T AMIDE

AG008RSV

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CAS Number	106362-34-9
Catalog Number	AG008RSV(AGN-PC-0OVXFC)
Chemical Name	(D-ALA1)-PEPTIDE T AMIDE
IUPAC Name	(2S)-N-[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-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]butanediamide
InChI	InChI=1S/C35H56N10O15/c1-13(36)29(54)41-22(12-46)32(57)43-26(16(4)49)34(59)45-27(17(5)50)35(60)44-25(15(3)48)33(58)40-21(11-23(37)52)30(55)39-20(10-18-6-8-19(51)9-7-18)31(56)42-24(14(2)47)28(38)53/h6-9,13-17,20-22,24-27,46-51H,10-12,36H2,1-5H3,(H2,37,52)(H2,38,53)(H,39,55)(H,40,58)(H,41,54)(H,42,56)(H,43,57)(H,44,60)(H,45,59)/t13-,14-,15-,16-,17-,20+,21+,22+,24+,25+,26+,27+/m1/s1
InChI Key	AKWRNBWMGFUAMF-ZESMOPTKSA-N
MDL Number	MFCD00076838
Molecular Formula	C35H56N10O15
Molecular Weight	856.8771
SMILES	OC1=CC=C(C[C@H](NC([C@@H](NC([C@H]([C@H](O)C)NC([C@@H](NC([C@H]([C@H](O)C)NC([C@@H](NC([C@H](N)C)=O)CO)=O)=O)[C@H](O)C)=O)=O)CC(N)=O)=O)C(N[C@H](C(N)=O)[C@H](O)C)=O)C=C1
UNII	J208V4ZMP2
Synonyms	DAPTA, Adaptavir, 106362-34-9, UNII-J208V4ZMP2, RAP101, D-Ala-peptide T-amide, (D-Ala1)-peptide T amide, J208V4ZMP2, L-Threoninamide, D-alanyl-L-seryl-L-threonyl-L-threonyl-L-threonyl-L-asparaginyl-L-tyrosyl-, H-D-ALA-SER-THR-THR-THR-ASN-TYR-THR-NH2, mDAPTA, monomeric D-Ala-peptide, [D-Ala1] Peptide T Amide, D-Ala1-peptide T-amide, (D-Alanine1)Peptide T amide, [D-Ala1] Peptide T, amide, Octapeptide T, Monomeric DAPTA, AC1L4FAK, AC1Q5JOH, D-Ala1-peptide T-NH2, CHEMBL181276, SCHEMBL7706935, (D-ALA1)-PEPTIDETAMIDE, monomeric d-Ala-peptide T-amide, CTK4A4511, L-Threoninamide,D-alanyl-L-seryl-L-threonyl-L-threonyl-L-threonyl-L-asparaginyl-L-tyrosyl-, HY-P1034, MFCD00076838, s8501, AKOS024457091, ZINC169289402, CA-1416, CS-7601, d-alanyl-l-seryl-l-threonyl-l-threonyl-l-threonyl-l-asparaginyl-l-tyrosyl-l-threoninamide, D-Ala-Ser-Thr-Thr-Thr-Asn-Tyr-Thr-NH2, D-Ala-Ser-Thr-Thr-Thr-Asn-Tyr-Thr-NH(2), (2S)-N-[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-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]butanediamide, Peptide T amide, PEPTIDE T, AR-1I3449, CID184644, C35-H56-N10-O15, 1165-57-7,

Complexity	1530
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	12
Defined Bond Stereocenter Count	0
Exact Mass	856.393g/mol
Formal Charge	0
Heavy Atom Count	60
Hydrogen Bond Acceptor Count	16
Hydrogen Bond Donor Count	16
Isotope Atom Count	0
Molecular Weight	856.888g/mol
Monoisotopic Mass	856.393g/mol
Rotatable Bond Count	24
Topological Polar Surface Area	437A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-6.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number