Tryptophan Polyoxin C

(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid

Also Known As: Tryptophan Polyoxin C|Dipeptidyl Polyoxin L analog|(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl]acetic acid|(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-2-[(3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid|1-(5-{[2-Amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-5-deoxyhexofuranuronosyl)-4-hydroxypyrimidin-2(1H)-one|1-[(4xi)-5-{[(2S)-2-Amino-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino}-5-deoxy-beta-D-ribo-hexofuranuronosyl]-4-hydroxypyrimidin-2(1H)-one

Molecular Formula	C21H23N5O8
Molecular Weight	473.15466 g/mol
LogP	-3.7
Topological Polar Surface Area	207.0 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	473.15466
Monoisotopic Mass	473.15466
Heavy Atoms	34
Complexity	868.0

Chemical Identifiers

CAS Number	86632-67-9
SMILES	C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)N[C@@H](C3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)C(=O)O)N
InChIKey	DEENHJZQBUGHHA-WILNSQAISA-N