AG00IBFE

64963-01-5 | L-Leucine, L-tyrosyl-D-alanylglycyl-L-phenylalanyl-

AG00IBFE

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CAS Number	64963-01-5
Catalog Number	AG00IBFE(AGN-PC-0OF02I)
Chemical Name	L-Leucine, L-tyrosyl-D-alanylglycyl-L-phenylalanyl-
EC Number	265-291-0
IUPAC Name	(2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid
InChI	InChI=1S/C29H39N5O7/c1-17(2)13-24(29(40)41)34-28(39)23(15-19-7-5-4-6-8-19)33-25(36)16-31-26(37)18(3)32-27(38)22(30)14-20-9-11-21(35)12-10-20/h4-12,17-18,22-24,35H,13-16,30H2,1-3H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)(H,40,41)/t18-,22+,23+,24+/m1/s1
InChI Key	ZHUJMSMQIPIPTF-JMBSJVKXSA-N
MDL Number	MFCD00076409
Molecular Formula	C29H39N5O7
Molecular Weight	569.6493
SMILES	C(O)(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](CC1C=CC(O)=CC=1)N
UNII	PO4D55T1IG
Synonyms	64963-01-5, H-Tyr-D-Ala-Gly-Phe-Leu-OH, Tyr-D-Ala-Gly-Phe-Leu, (D-Ala2)-Leu-Enkephalin, [D-Ala2]leucine-enkephalin, [D-Ala2]-Leu-Enkephalin, DALLE, UNII-PO4D55T1IG, PO4D55T1IG, (D-Ala2,Leu5)enkephalin, [D-Ala2]-Leucine enkephalin, SCHEMBL11396067, BDBM82090, KS-00000TYE, HY-P0098, MFCD00076409, ZINC14952096, AKOS030529562, CS-5905, C-54723, L-Leucine,L-tyrosyl-D-alanylglycyl-L-phenylalanyl-, (2S,5S,11R,14S)-14-amino-5-benzyl-15-(4-hydroxyphenyl)-2-isobutyl-11-methyl-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecan-1-oic acid, Leuphasyl, DADL, [D-Ala2] Leu-Enkephalin, (D-Ala2)leucine-enkephalin, EINECS 265-291-0, C29-H39-N5-O7, NSC 374895, CID10099522, N-(N-(N-(N-L-Tyrosyl-D-alanyl)glycyl)-L-phenylalanyl)-L-leucine,

Complexity	885
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	4
Defined Bond Stereocenter Count	0
Exact Mass	569.285g/mol
Formal Charge	0
Heavy Atom Count	41
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	7
Isotope Atom Count	0
Molecular Weight	569.659g/mol
Monoisotopic Mass	569.285g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	200A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-1.9

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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