AMPICILLIN OLIGOMER 1 (TRIMER)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C48H57N9O12S3
Molecular Weight	1048.214
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of AMPICILLIN OLIGOMER 1 (TRIMER)

Structure Search

SMILES

CC1(C)S[C@@H](N[C@H]1C(O)=O)[C@H](NC(=O)[C@H](N)C2=CC=CC=C2)C(=O)N[C@@H](C(=O)N[C@@H]([C@@H]3N[C@@H](C(O)=O)C(C)(C)S3)C(=O)N[C@@H](C(=O)N[C@H]4[C@H]5SC(C)(C)[C@@H](N5C4=O)C(O)=O)C6=CC=CC=C6)C7=CC=CC=C7

InChI

InChIKey=CXYFUYQPFUMJDV-SFUXYWTESA-N

InChI=1S/C48H57N9O12S3/c1-46(2)31(43(64)65)55-39(70-46)28(52-34(58)25(49)22-16-10-7-11-17-22)37(61)50-26(23-18-12-8-13-19-23)35(59)53-29(40-56-32(44(66)67)47(3,4)71-40)38(62)51-27(24-20-14-9-15-21-24)36(60)54-30-41(63)57-33(45(68)69)48(5,6)72-42(30)57/h7-21,25-33,39-40,42,55-56H,49H2,1-6H3,(H,50,61)(H,51,62)(H,52,58)(H,53,59)(H,54,60)(H,64,65)(H,66,67)(H,68,69)/t25-,26-,27-,28-,29-,30-,31+,32+,33+,39-,40-,42-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C48H57N9O12S3
Molecular Weight	1048.214
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 21:37:55 GMT 2025` Edited by `admin` on `Mon Mar 31 21:37:55 GMT 2025`
Record UNII	BO07V32006
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(4S,4'S)-2,2'-((1R,7R,13R)-1-AMINO-14-((2S,5R,6R)-2-CARBOXY-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO(3.2.0)HEPTAN-6-YLAMINO)-2,5,8,11,14-PENTAOXO-1,7,13-TRIPHENYL-3,6,9,12-TETRAAZATETRADECANE-4,10-DIYL(BIS(5,5-DIMETHYLTHIAZOLIDINE-4-CARBOXYLIC ACID)

Preferred Name

English

AMPICILLIN OLIGOMER 1 (TRIMER)

Common Name

English

Code System Code Type Description

CAS

114977-84-3

Created by admin on Mon Mar 31 21:37:55 GMT 2025 , Edited by admin on Mon Mar 31 21:37:55 GMT 2025

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EPA CompTox

DTXSID30150906

Created by admin on Mon Mar 31 21:37:55 GMT 2025 , Edited by admin on Mon Mar 31 21:37:55 GMT 2025

PRIMARY

PUBCHEM

131634605

Created by admin on Mon Mar 31 21:37:55 GMT 2025 , Edited by admin on Mon Mar 31 21:37:55 GMT 2025

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FDA UNII

BO07V32006

Created by admin on Mon Mar 31 21:37:55 GMT 2025 , Edited by admin on Mon Mar 31 21:37:55 GMT 2025

PRIMARY

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