Sulfazecin

AlkaPlorer ID: AK021081

Synonym: None

IUPAC Name: (2R)-2-amino-5-[[(2R)-1-[[(3R)-3-methoxy-2-oxo-1-sulfoazetidin-3-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Structure

SMILES: CO[C@]1(N=C(O)[C@@H](C)N=C(O)CC[C@@H](N)C(=O)O)CN(S(=O)(=O)O)C1=O

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InChI: InChI=1S/C12H20N4O9S/c1-6(14-8(17)4-3-7(13)10(19)20)9(18)15-12(25-2)5-16(11(12)21)26(22,23)24/h6-7H,3-5,13H2,1-2H3,(H,14,17)(H,15,18)(H,19,20)(H,22,23,24)/t6-,7-,12-/m1/s1

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InChIKey: MOBOUQJWGBVNCR-NQYJQULFSA-N

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Source

Properties Information

Molecule Weight: 396.3780000000001

TPSA: 212.41

MolLogP: -1.532299999999997

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT014573 C[SAH].C[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)N[C@@]1(O)CN(S(=O)(=O)O)C1=O>>CO[C@]1(NC(=O)[C@@H](C)NC(=O)CC[C@@H](N)C(=O)O)CN(S(=O)(=O)O)C1=O RXN-23277