Mrv1652309072209112D 14 15 0 0 1 0 999 V2000 2.7719 2.7737 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1844 2.0593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.7719 1.3448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9469 1.3448 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4620 0.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 0.9323 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1477 0.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7310 0.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1477 1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6773 1.7573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4620 2.0122 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0094 2.0593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4219 2.7737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4219 1.3448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 4 3 1 1 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 6 10 1 0 0 0 0 10 11 1 0 0 0 0 4 11 1 0 0 0 0 2 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 M END > NP0245932 > NP-MRD > N[C@@H](C[C@H]1CN2C(CC2=O)O1)C(O)=O > InChI=1S/C8H12N2O4/c9-5(8(12)13)1-4-3-10-6(11)2-7(10)14-4/h4-5,7H,1-3,9H2,(H,12,13)/t4-,5-,7?/m0/s1 > KCAIYJDHLVYANU-CNGBTNQNSA-N > C8H12N2O4 > 200.194 > 200.079706874 > 5 > 26 > 18.967280042260644 > 1 > 2 > 0 > 0 > (2S)-2-amino-3-[(3S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic acid > -3.7870231844202213 > 0 > 2 > 0 > 18.708908505515385 > 1.897788835229429 > 9.148727654093985 > 92.86 > 44.52700000000001 > 3 > 1 > (2S)-2-amino-3-[(3S)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic acid > 0 > NP0245932 > (2s)-2-amino-3-[(3s)-7-oxo-4-oxa-1-azabicyclo[3.2.0]heptan-3-yl]propanoic acid $$$$