Marvin 01261111322D 25 27 0 0 1 0 999 V2000 8.5554 -3.9581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8409 -4.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8409 -5.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5554 -5.6081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2699 -5.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2699 -4.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1278 -4.3706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9411 -4.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2223 -4.7831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9411 -5.1881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9844 -3.9581 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4133 -3.9581 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9528 -4.3706 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7374 -5.4506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7993 -6.4068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9923 -6.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4403 -6.8482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6988 -4.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6988 -5.1956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1278 -5.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7374 -4.1156 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.9528 -5.1956 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9844 -3.1331 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9528 -3.5456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5444 -5.7790 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 11 1 0 0 0 0 11 18 1 0 0 0 0 18 12 1 0 0 0 0 7 12 1 1 0 0 0 7 20 1 0 0 0 0 7 13 1 0 0 0 0 22 20 1 0 0 0 0 22 14 1 0 0 0 0 13 22 1 0 0 0 0 21 13 1 0 0 0 0 21 9 1 0 0 0 0 14 9 1 0 0 0 0 9 8 1 0 0 0 0 9 10 1 0 0 0 0 11 23 1 1 0 0 0 14 16 1 6 0 0 0 16 15 1 0 0 0 0 16 17 2 0 0 0 0 18 19 2 0 0 0 0 13 24 1 6 0 0 0 20 25 2 0 0 0 0 M END > CHEBI:28971 > ampicillin > A penicillin in which the substituent at position 6 of the penam ring is a 2-amino-2-phenylacetamido group. > 3 > CHEBI:40648; CHEBI:45042; CHEBI:2683; CHEBI:22536 > D-(-)-ampicillin; D-(-)-6-(alpha-aminophenylacetamido)penicillanic acid; AP; Anhydrous ampicillin; ampicillin anhydrous; ampicillin acid; Ampicillin; AMP; aminobenzylpenicillin; ABPC; 6-(D-(2-amino-2-phenylacetamido))-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo(3.2.0)heptane-2-carboxylic acid; (2S,6R)-6-{[(2R)-2-amino-2-phenylethanoyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid; (2S,5R,6R)-6-{[(2R)-2-AMINO-2-PHENYLETHANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLIC ACID; (2S,5R,6R)-6-{[(2R)-2-amino-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid > 6beta-[(2R)-2-amino-2-phenylacetamido]-2,2-dimethylpenam-3alpha-carboxylic acid > ampicillinum; ampicilline; ampicillin; ampicilina > C16H19N3O4S > 349.40500 > 349.10963 > 0 > [H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1)C(O)=O > InChI=1S/C16H19N3O4S/c1-16(2)11(15(22)23)19-13(21)10(14(19)24-16)18-12(20)9(17)8-6-4-3-5-7-8/h3-7,9-11,14H,17H2,1-2H3,(H,18,20)(H,22,23)/t9-,10-,11+,14-/m1/s1 > AVKUERGKIZMTKX-NJBDSQKTSA-N > 4300240 > 69-53-4 > 4300240 > 69-53-4 > DB00415 > C06574 > D00204 > LSM-5761 > 1H8S > PN1 > Ampicillin > 10930630; 12562703; 12569987; 12833570; 14139119; 14455820; 15768449; 16033609; 18611716; 19967069; 2083978; 23568176; 23861268; 24474427; 24666465; 25998949; 28543395; 29017833; 6176550; 8020088; 9433938 $$$$