LT0

D-tryptophyl-L-serine

Created:	2022-07-12
Last modified:	2022-10-12

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1 entries where LT0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	2
Bond Count	39
Aromatic Bond Count	10

2D diagram of LT0

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Chemical Component Summary
Name	D-tryptophyl-L-serine
Synonyms	(2~{S})-2-[[(2~{R})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoic acid; D-Trp-Ser dipeptide
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-[[(2~{R})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoic acid
Formula	C₁₄ H₁₇ N₃ O₄
Molecular Weight	291.302
Type	PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	N[CH](Cc1c[nH]c2ccccc12)C(=O)N[CH](CO)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c(c[nH]2)CC(C(=O)NC(CO)C(=O)O)N
Canonical SMILES	CACTVS	3.385	N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)c(c[nH]2)C[C@H](C(=O)N[C@@H](CO)C(=O)O)N
InChI	InChI	1.06	InChI=1S/C14H17N3O4/c15-10(13(19)17-12(7-18)14(20)21)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,18H,5,7,15H2,(H,17,19)(H,20,21)/t10-,12+/m1/s1
InChIKey	InChI	1.06	MYVYPSWUSKCCHG-PWSUYJOCSA-N

Related Resource References

Resource Name	Reference
PubChem	104910831

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.