rotamicillin (CHEBI:757735)

CHEBI:757735 - rotamicillin

Formula	C28H31N5O5S
Net Charge	0
Average Mass	549.653
Monoisotopic Mass	549.20459
SMILES	[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)Cc1ccc(C2=NCCCN2)cc1)c1ccccc1
InChI	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
InChIKey	PXNNCSKFUDOUJS-ZUVQJFRASA-N

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	rotamicillin (CHEBI:757735) is a peptide (CHEBI:16670)