Molecule

JBIR-78

AlkaPlorer ID: AK073477

Synonym: None

IUPAC Name: (3R)-4-[[(2S)-1-[[(2R,3S)-1-[[2-[[(2R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]amino]-4-oxobutanoic acid

Structure

SMILES: CC(C)[C@H](NC(=O)CC1=CC=CC=C1)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)[C@@H](O)C(C)C

InChI: InChI=1S/C40H55N7O12/c1-21(2)32(46-29(48)18-26-15-11-8-12-16-26)39(57)44-27(19-31(50)51)37(55)43-24(6)36(54)47-33(34(52)22(3)4)38(56)41-20-30(49)42-23(5)35(53)45-28(40(58)59)17-25-13-9-7-10-14-25/h7-16,21-24,27-28,32-34,52H,17-20H2,1-6H3,(H,41,56)(H,42,49)(H,43,55)(H,44,57)(H,45,53)(H,46,48)(H,47,54)(H,50,51)(H,58,59)/t23-,24+,27-,28+,32+,33-,34+/m1/s1

InChIKey: AYHQEXAHORNEMG-CGBMOQSMSA-N

Reference

JBIR-78 and JBIR-95: Phenylacetylated Peptides Isolated from <i>Kibdelosporangium</i> sp. AK-AA56

PubChem CID: 57331968

LOTUS: LTS0246491

NPASS: NPC47667

{

NPAtlas: NPA006138

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Kibdelosporangium sp. AK-AA56	Kibdelosporangium	Pseudonocardiaceae	Pseudonocardiales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 825.9170000000003

TPSA？: 298.53000000000003

MolLogP？: -1.2311999999999987

Number of H-Donors: 10

Number of H-Acceptors: 10

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Micrococcus luteus	Micrococcus luteus	IZ	7.1	mm	10.1021/np2008279