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N-[(1S)-1-{[(1S)-1-[(2-aminoethyl)carbamoyl]ethyl]carbamoyl}-2-(naphthalen-2-yl)ethyl]-N'-hydroxy-2-(2-methylpropyl)succinamide; trifluoroacetic acid

N-[(1S)-1-{[(1S)-1-[(2-aminoethyl)carbamoyl]ethyl]carbamoyl}-2-(naphthalen-2-yl)ethyl]-N'-hydroxy-2-(2-methylpropyl)succinamide; trifluoroacetic acid

Formula: C28H38F3N5O7

SMILES: OC(=O)C(F)(F)F.CC(C)CC(CC(=O)NO)C(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@@H](C)C(=O)NCCN

IUPAC: N-[(1S)-1-{[(1S)-1-[(2-aminoethyl)carbamoyl]ethyl]carbamoyl}-2-(naphthalen-2-yl)ethyl]-N'-hydroxy-2-(2-methylpropyl)butanediamide; trifluoroacetic acid

InChI: InChI=1S/C26H37N5O5.C2HF3O2/c1-16(2)12-21(15-23(32)31-36)25(34)30-22(26(35)29-17(3)24(33)28-11-10-27)14-18-8-9-19-6-4-5-7-20(19)13-18;3-2(4,5)1(6)7/h4-9,13,16-17,21-22,36H,10-12,14-15,27H2,1-3H3,(H,28,33)(H,29,35)(H,30,34)(H,31,32);(H,6,7)/t17-,21?,22-;/m

Composition: C (54.81%), H (6.24%), F (9.29%), N (11.41%), O (18.25%)

Molar Mass: 613.635

Atom Count: 81

Heavy Atom Count: 43

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 3
Exact Mass 613.272333073
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 6
InChIKey SVVQFLKIJLWTMW-CXTYQMHHSA-N
Lipinski's Rule of Five
Molar Refractivity 135.78
Topological Polar Surface Area 162.65
Polarizability 54.28
Ring Count 2
Rotatable Bond Count 14

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molnova Chemicals
Purity LeadTime Formula PacketSize UnitPrice
98% <4 Days C28H38F3N5O7 $452.68$452.68
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