Napsamycin D

CAT: 0931-TN10393-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TN10393-01Size:10 mg

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CAS Number

144379-27-1

Target

Antibacterial, Antibiotic

Related Pathways

Microbiology/Virology

Bioactivity

Napsamycin D is an antibiotic with antibacterial activity primarily against Pseudomonas aeruginosa and other Pseudomonas species, while exhibiting weaker antibacterial effects on other Gram-positive and Gram-negative bacteria.

Smiles

O=C(O)C(NC(=O)NC(C(=O)NC(C(=O)NC=C1OC(N2C(=O)NC(=O)CC2)C(O)C1)C(N(C(=O)C3NC(C4=CC=C(O)C=C4C3)C)C)C)CCSC)CC=5C=CC=C(O)C5

Molecular Formula

C40H52N8O12S

Molecular Weight

868.952

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Napsamycin D

Napsamycin D is a dipeptide.

CAS Number	144379-27-1
PubChem CID	3037899
IUPAC Name	2-[[1-[[1-[[(Z)-[5-(2,4-dioxo-1,3-diazinan-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-3-[(6-hydroxy-1-methyl-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-methylamino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
Molecular Formula	C40H52N8O12S
Molecular Weight	869.0
XLogP	-2.3
Topological Polar Surface Area	314
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	16
Heavy Atom Count	61
Formal Charge	0
Complexity	1660

SMILES

CC1C2=C(CC(N1)C(=O)N(C)C(C)C(C(=O)N/C=C\3/CC(C(O3)N4CCC(=O)NC4=O)O)NC(=O)C(CCSC)NC(=O)NC(CC5=CC(=CC=C5)O)C(=O)O)C=C(C=C2)O

InChI

InChI=1S/C40H52N8O12S/c1-20-27-9-8-25(50)16-23(27)17-29(42-20)36(55)47(3)21(2)33(35(54)41-19-26-18-31(51)37(60-26)48-12-10-32(52)45-40(48)59)46-34(53)28(11-13-61-4)43-39(58)44-30(38(56)57)15-22-6-5-7-24(49)14-22/h5-9,14,16,19-21,28-31,33,37,42,49-51H,10-13,15,17-18H2,1-4H3,(H,41,54)(H,46,53)(H,56,57)(H2,43,44,58)(H,45,52,59)/b26-19-

InChIKey

AZGANZVUWUCOGH-XHPQRKPJSA-N

Chemical Structure

2D Structure

CAS: 144379-27-1

CID: 3037899

Formula: C40H52N8O12S

MW: 869.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	869.0
XLogP3	-2.3
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	16
Exact Mass	868.34254030
Monoisotopic Mass	868.34254030
Topological Polar Surface Area	314 Å²
Heavy Atom Count	61
Formal Charge	0
Complexity	1660
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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TN10377-01	Napsamycin C
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T76446-01	(D-Arg1, D-Pro2, D-Phe7, D-His9) -Substance P
TXB-00190-01	D-Glycero-D-mannoheptose
TN7668-01	D-Galacto-D-mannan
T83497-01	[D-Pro2, D-Phe7, D-Trp9] Substance P
TP1766-01	D-γ-Glutamyl-D-glutamic acid
T76350-01	[D-Glp1, D-Phe2, D-Trp3,6]-LH-RH

Alternative Products

Catalog	Name
HY-N14845	Napsamycin A
HY-N14851	Napsamycin C
GTR19255323-01	Napsamycin B
HY-N14852	Napsamycin D

Napsamycin D

Chemical Information

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