ROTAMICILLIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H31N5O5S
Molecular Weight	549.641
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)CC3=CC=C(C=C3)C4=NCCCN4)C5=CC=CC=C5)C(=O)N2[C@H]1C(O)=O

InChI

InChIKey=PXNNCSKFUDOUJS-ZUVQJFRASA-N

InChI=1S/C28H31N5O5S/c1-28(2)22(27(37)38)33-25(36)21(26(33)39-28)32-24(35)20(17-7-4-3-5-8-17)31-19(34)15-16-9-11-18(12-10-16)23-29-13-6-14-30-23/h3-5,7-12,20-22,26H,6,13-15H2,1-2H3,(H,29,30)(H,31,34)(H,32,35)(H,37,38)/t20-,21-,22+,26-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C28H31N5O5S
Molecular Weight	549.641
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: Bycroft Barrie W., Payne David J., Dictionary of Antibiotics and Related Substances: with CD-ROM, Second Edition, retrieved from: https://books.google.ru/books?id=x0hZDwAAQBAJ&pg=PA1533&lpg=PA1533&dq=ROTAMICILLIN&source=bl&ots=AdUCRN_i-R&sig=ACfU3U0upKmskvjRBN5QS8Q48MEwI-Qm1g&hl=ru&sa=X&ved=2ahUKEwi-tKqmiYfjAhULw8QBHaygCZs4ChDoATAAegQICBAB#v=onepage&q=ROTAMICILLIN&f=false

ROTAMICILLIN was developed as an antibiotic that has never been marketed.

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:23:23 GMT 2025` Edited by `admin` on `Mon Mar 31 18:23:23 GMT 2025`
Record UNII	JS13873052
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ROTAMICILLIN

Official Name

English

(2S,5R,6R)-3,3-DIMETHYL-7-OXO-6-((R)-2-PHENYL-2-(2-(P-(1,4,5,6-TETRAHYDRO-2-PYRIMIDINYL)PHENYL)ACETAMIDO)ACETAMIDO)-4-THIA-1-AZABICYCLO(3.2.0)HEPTANE-2-CARBOXYLIC ACID

Preferred Name

English

rotamicillin [INN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C1500