63U

(2S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

Created:	2016-01-21
Last modified:	2024-09-27

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2 entries where 63U is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	43
Chiral Atom Count	3
Bond Count	44
Aromatic Bond Count	6

2D diagram of 63U

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Chemical Component Summary
Name	(2S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5-methyl-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(2~{S})-2-[(1~{R})-1-[[(2~{R})-2-azanyl-2-phenyl-ethanoyl]amino]-2-oxidanylidene-ethyl]-5-methyl-3,6-dihydro-2~{H}-1,3-thiazine-4-carboxylic acid
Formula	C₁₆ H₁₉ N₃ O₄ S
Molecular Weight	349.405
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(C1=C(C)CSC(N1)C(C=O)NC(C(c2ccccc2)N)=O)O
SMILES	CACTVS	3.385	CC1=C(N[CH](SC1)[CH](NC(=O)[CH](N)c2ccccc2)C=O)C(O)=O
SMILES	OpenEye OEToolkits	2.0.4	CC1=C(NC(SC1)C(C=O)NC(=O)C(c2ccccc2)N)C(=O)O
Canonical SMILES	CACTVS	3.385	CC1=C(N[C@@H](SC1)[C@H](NC(=O)[C@H](N)c2ccccc2)C=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.4	CC1=C(N[C@@H](SC1)[C@@H](C=O)NC(=O)[C@@H](c2ccccc2)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C16H19N3O4S/c1-9-8-24-15(19-13(9)16(22)23)11(7-20)18-14(21)12(17)10-5-3-2-4-6-10/h2-7,11-12,15,19H,8,17H2,1H3,(H,18,21)(H,22,23)/t11-,12-,15+/m1/s1
InChIKey	InChI	1.03	YUNPQAOWKVWRNR-JMSVASOKSA-N

Related Resource References

Resource Name	Reference
PubChem	137348428

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