(1S,4S,5S,7R)-7-{[(5S)-5-AMINO-5-CARBOXYPENTANOYL]AMINO}-3,3-DIMETHYL-6-OXO-2-THIABICYCLO[3.2.0]HEPTANE-4-CARBOXYLIC ACID (CHEBI:49450)

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CHEBI:49450 - (1S,4S,5S,7R)-7-{[(5S)-5-AMINO-5-CARBOXYPENTANOYL]AMINO}-3,3-DIMETHYL-6-OXO-2-THIABICYCLO[3.2.0]HEPTANE-4-CARBOXYLIC ACID

Default Structure

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ChEBI ID	CHEBI:49450
ChEBI Name	(1S,4S,5S,7R)-7-{[(5S)-5-AMINO-5-CARBOXYPENTANOYL]AMINO}-3,3-DIMETHYL-6-OXO-2-THIABICYCLO[3.2.0]HEPTANE-4-CARBOXYLIC ACID
Stars
Downloads	Molfile

Formula	C15H22N2O6S
Net Charge	0
Average Mass	358.416
Monoisotopic Mass	358.11986
SMILES	[H]OC(=O)[C@@]([H])(N([H])[H])C([H])([H])C([H])([H])C([H])([H])C(=O)N([H])[C@]1([H])C(=O)[C@@]2([H])[C@]1([H])SC(C([H])([H])[H])(C([H])([H])[H])[C@]2([H])C(=O)O[H]
InChI	InChI=1S/C15H22N2O6S/c1-15(2)9(14(22)23)8-11(19)10(12(8)24-15)17-7(18)5-3-4-6(16)13(20)21/h6,8-10,12H,3-5,16H2,1-2H3,(H,17,18)(H,20,21)(H,22,23)/t6-,8-,9-,10+,12-/m0/s1
InChIKey	FIHUDIADLMVJET-CEAFUOJOSA-N

ChEBI Ontology

Outgoing Relation(s)
	(1S,4S,5S,7R)-7-{[(5S)-5-AMINO-5-CARBOXYPENTANOYL]AMINO}-3,3-DIMETHYL-6-OXO-2-THIABICYCLO[3.2.0]HEPTANE-4-CARBOXYLIC ACID (CHEBI:49450) is a unclassifieds (CHEBI:27189)

Synonyms	Source
(1S,4S,5S,7R)-7-{[(5S)-5-amino-5-carboxypentanoyl]amino}-3,3-dimethyl-6-oxo-2-thiabicyclo[3.2.0]heptane-4-carboxylic acid	PDBeChem
(1S,4S,5S,7R)-7-{[(5S)-5-AMINO-5-CARBOXYPENTANOYL]AMINO}-3,3-DIMETHYL-6-OXO-2-THIABICYCLO[3.2.0]HEPTANE-4-CARBOXYLIC ACID	PDBeChem

Manual Xrefs	Databases
A14	PDBeChem