Napsamycin C

CAT: 0931-TN10377-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-TN10377-01Size:10 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

144379-26-0

Target

Antibacterial, Antibiotic

Related Pathways

Microbiology/Virology

Bioactivity

Napsamycin C is an antibiotic with antibacterial activity against Pseudomonas aeruginosa and other Pseudomonas species; however, it exhibits relatively weak antibacterial activity against 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)C3NCC4=CC=C(O)C=C4C3)C)C)CCSC)CC=5C=CC=C(O)C5

Molecular Formula

C39H50N8O12S

Molecular Weight

854.926

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Napsamycin C

Napsamycin C is a dipeptide.

CAS Number	144379-26-0
PubChem CID	3037898
IUPAC Name	2-[[1-[[1-[[(Z)-[5-(2,4-dioxo-1,3-diazinan-1-yl)-4-hydroxyoxolan-2-ylidene]methyl]amino]-3-[(6-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carbonyl)-methylamino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
Molecular Formula	C39H50N8O12S
Molecular Weight	854.9
XLogP	-2.7
Topological Polar Surface Area	314
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	16
Heavy Atom Count	60
Formal Charge	0
Complexity	1620

SMILES

CC(C(C(=O)N/C=C\1/CC(C(O1)N2CCC(=O)NC2=O)O)NC(=O)C(CCSC)NC(=O)NC(CC3=CC(=CC=C3)O)C(=O)O)N(C)C(=O)C4CC5=C(CN4)C=CC(=C5)O

InChI

InChI=1S/C39H50N8O12S/c1-20(46(2)35(54)28-16-23-15-25(49)8-7-22(23)18-40-28)32(34(53)41-19-26-17-30(50)36(59-26)47-11-9-31(51)44-39(47)58)45-33(52)27(10-12-60-3)42-38(57)43-29(37(55)56)14-21-5-4-6-24(48)13-21/h4-8,13,15,19-20,27-30,32,36,40,48-50H,9-12,14,16-18H2,1-3H3,(H,41,53)(H,45,52)(H,55,56)(H2,42,43,57)(H,44,51,58)/b26-19-

InChIKey

MFEPAAMYDYMBSN-XHPQRKPJSA-N

Chemical Structure

2D Structure

CAS: 144379-26-0

CID: 3037898

Formula: C39H50N8O12S

MW: 854.9

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	854.9
XLogP3	-2.7
Hydrogen Bond Donor Count	10
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	16
Exact Mass	854.32689023
Monoisotopic Mass	854.32689023
Topological Polar Surface Area	314 Å²
Heavy Atom Count	60
Formal Charge	0
Complexity	1620
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	7
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

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

Napsamycin C

Chemical Information

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