AG000JSR

38101-59-6 | L-Tryptophan, L-α-glutamyl-

AG000JSR

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CAS Number	38101-59-6
Catalog Number	AG000JSR(AGN-PC-0RFLNL)
Chemical Name	L-Tryptophan, L-α-glutamyl-
IUPAC Name	(4S)-4-amino-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
InChI	InChI=1S/C16H19N3O5/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/m0/s1
InChI Key	LLEUXCDZPQOJMY-AAEUAGOBSA-N
MDL Number	MFCD00037953
Molecular Formula	C16H19N3O5
Molecular Weight	333.3392
SMILES	OC([C@H](CC1=CNC2=C1C=CC=C2)NC([C@H](CCC(O)=O)N)=O)=O
UNII	4RHY598T5U
Synonyms	alpha-glutamyltryptophan, Glu-Trp, L-alpha-glutamyl-L-tryptophan, Oglufanide, H-Glu-Trp-OH, 38101-59-6, Thymogen, Glutamyltryptophan, Glu-trp, alpha-Glutamyltryptophan, Timogen, L-glutamyl-L-tryptophan, Glutamyl tryptophan, Oglufanide [INN], L-Glu-L-Trp, L-alpha-Glutamyl-L-tryptophan, alpha-Glu-Trp, UNII-4RHY598T5U, IM 862, L-alpha-Glu-L-Trp, IM862, NSC 334073, 4RHY598T5U, CHEBI:73512, L-Tryptophan, L-alpha-glutamyl-, L-Tryptophan, N-L-alpha-glutamyl-, C16H19N3O5, CCRIS 8677, EW dipeptide, NSC334073, E-W Dipeptide, AK327659, IM 862 dipeptide, AC1L2O1M, Glutamate Tryptophan dipeptide, Glutamate-Tryptophan dipeptide, L-Tryptophan, L-a-glutamyl-, SCHEMBL1898073, CHEMBL2111029, KS-00000GDS, BCP13098, ZINC1576166, MFCD00037953, AKOS026751470, API0003667, CS-5654, DB05779, 122933-59-9, AS-49440, HY-13718, LS-158146, LS-172546, FT-0771477, C-48461, (4S)-4-[N-((1S)-1-carboxy-2-indol-3-ylethyl)carbamoyl]-4-aminobutanoic acid, (S)-4-amino-5-((S)-1-carboxy-2-(1H-indol-3-yl)ethylamino)-5-oxopentanoic acid, (4S)-4-amino-5-[[(2S)-1-hydroxy-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid, Glufanide disodium, Oglufanide disodium, D02RNS, im-862, Kaposis sarcoma therapy, Cytran, CID100094, C16-H19-N3-O5,

Complexity	484
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	333.132g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
Isotope Atom Count	0
Molecular Weight	333.344g/mol
Monoisotopic Mass	333.132g/mol
Rotatable Bond Count	8
Topological Polar Surface Area	146A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-2.7

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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