Products for Research Use Only
RegisterLogin

MC-Val-Cit-PAB 1g

CAT: 0628-A20571-1000Size: 1000 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0628-A20571-1000Size:1000 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
159857-80-4

Chemical Information

N-(6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl)-L-valyl-N5-(aminocarbonyl)-N-(4-(hydroxymethyl)phenyl)-L-ornithinamide
CAS Number159857-80-4
PubChem CID57544445
IUPAC NameN-[(2S)-1-[[(2S)-5-(carbamoylamino)-1-[4-(hydroxymethyl)anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-6-(2,5-dioxopyrrol-1-yl)hexanamide
Molecular FormulaC28H40N6O7
Molecular Weight572.7
XLogP0
Topological Polar Surface Area200
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Heavy Atom Count41
Formal Charge0
Complexity944
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)NC1=CC=C(C=C1)CO)NC(=O)CCCCCN2C(=O)C=CC2=O
InChI
InChI=1S/C28H40N6O7/c1-18(2)25(33-22(36)8-4-3-5-16-34-23(37)13-14-24(34)38)27(40)32-21(7-6-15-30-28(29)41)26(39)31-20-11-9-19(17-35)10-12-20/h9-14,18,21,25,35H,3-8,15-17H2,1-2H3,(H,31,39)(H,32,40)(H,33,36)(H3,29,30,41)/t21-,25-/m0/s1
InChIKey
AMKBTTRWLGVRER-OFVILXPXSA-N
Chemical Structure
2D Structure
2D structure of N-(6-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-1-oxohexyl)-L-valyl-N5-(aminocarbonyl)-N-(4-(hydroxymethyl)phenyl)-L-ornithinamide
CAS: 159857-80-4
CID: 57544445
Formula: C28H40N6O7
MW: 572.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight572.7
XLogP30
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count7
Rotatable Bond Count17
Exact Mass572.29584764
Monoisotopic Mass572.29584764
Topological Polar Surface Area200 Ų
Heavy Atom Count41
Formal Charge0
Complexity944
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
A15766-1000Mc-Val-Cit-PABC-PNP 1g
A21686-1000Val-cit-PAB-OH 1g
A12560-1000Fmoc-Val-Cit-PAB 1g
A20571-500MC-Val-Cit-PAB 500mg
A20571-5MC-Val-Cit-PAB 5mg
A20571-250MC-Val-Cit-PAB 250mg
A20571-10MC-Val-Cit-PAB 10mg
A20571-100MC-Val-Cit-PAB 100mg
A20571-25MC-Val-Cit-PAB 25mg
A12180-1000Fmoc-Val-Cit-PAB-PNP 1g

Alternative Products

CatalogName
M19787-01MC-Val-Cit-PAB
BA2706-5MC-Val-Cit-PAB-clindamycin
BA2503-10Mc-Val-Cit-PAB-Cl
BA2700-5MC-Val-Cit-PAB-rifabutin
BA2678-10MC-Val-Cit-PAB-vinblastine
HY-112786-01MC-Val-Cit-PAB-MMAF
T77847-01MC-Val-Cit-PAB-Exatecan
HY-128905-01MC-Val-Cit-PAB-dimethylDNA31
HY-128908-01MC-Val-Cit-PAB-Indibulin
T18327-01MC-Val-Cit-PAB-Retapamulin

Popular Products