Antibiotic KF 77AG6; (S,S)-form, Hydrochloride 

AlkaPlorer ID: AK288492

Synonym: None

IUPAC Name: 2-[(1-carboxy-2-phenylethyl)carbamoylamino]-5-(diaminomethylideneamino)pentanoic acid

Structure

SMILES: NC(N)=NCCCC(NC(=O)NC(CC1=CC=CC=C1)C(=O)O)C(=O)O

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InChI: InChI=1S/C16H23N5O5/c17-15(18)19-8-4-7-11(13(22)23)20-16(26)21-12(14(24)25)9-10-5-2-1-3-6-10/h1-3,5-6,11-12H,4,7-9H2,(H,22,23)(H,24,25)(H4,17,18,19)(H2,20,21,26)

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InChIKey: AFUDERYHOUWFDT-UHFFFAOYSA-N

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Reference

PubChem CID: 73753445

COCONUT: CNP0186614.3

Properties Information

Molecule Weight: 365.3900000000001

TPSA: 180.12999999999997

MolLogP: -0.5116999999999985

Number of H-Donors: 6

Number of H-Acceptors: 4

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information